(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H23ClFN5O2 — CID 166828040

IUPAC(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1CC(O)N(c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C3)C1
InChIInChI=1S/C19H23ClFN5O2/c1-11-5-18(27)25(8-11)16-7-22-26-9-12(2)24(10-17(16)26)19(28)23-13-3-4-15(21)14(20)6-13/h3-4,6-7,11-12,18,27H,5,8-10H2,1-2H3,(H,23,28)/t11?,12-,18?/m0/s1
InChIKeyQEGYKVSISQQXMV-LASWEOPPSA-N
MW407.88 g/mol
LogP3.28
Rot. Bonds2

About (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 166828040) has the molecular formula C19H23ClFN5O2 and a molecular weight of 407.88 g/mol. Its IUPAC name is (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID166828040
Molecular FormulaC19H23ClFN5O2
Molecular Weight407.88 g/mol
Exact Mass407.15
IUPAC Name(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1CC(O)N(c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C3)C1
InChIInChI=1S/C19H23ClFN5O2/c1-11-5-18(27)25(8-11)16-7-22-26-9-12(2)24(10-17(16)26)19(28)23-13-3-4-15(21)14(20)6-13/h3-4,6-7,11-12,18,27H,5,8-10H2,1-2H3,(H,23,28)/t11?,12-,18?/m0/s1
InChIKeyQEGYKVSISQQXMV-LASWEOPPSA-N
XLogP3.28
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484191
N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484605
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484126
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484066
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484451
N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484608
3-(4-cyanopyrazol-1-yl)-N-(4-fluoro-3-methylphenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145121188
(6S)-3-[2-hydroxy-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166828086
(6S)-3-(4-hydroxy-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 134182632
N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 118068244
(6S)-6-methyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484232
tert-butyl (6S)-3-(3,3-difluoropyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(3,3-difluoropyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3,3-difluoropyrrolidine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;hydrochloride
CID 159083072

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 166828040) is (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1CC(O)N(c2cnn3c2CN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C3)C1.
What is the InChIKey of (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is QEGYKVSISQQXMV-LASWEOPPSA-N. The full InChI is InChI=1S/C19H23ClFN5O2/c1-11-5-18(27)25(8-11)16-7-22-26-9-12(2)24(10-17(16)26)19(28)23-13-3-4-15(21)14(20)6-13/h3-4,6-7,11-12,18,27H,5,8-10H2,1-2H3,(H,23,28)/t11?,12-,18?/m0/s1.
What are the key properties of (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 166828040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).