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

C18H19ClFN5O2 — CID 121484049

IUPAC(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCCC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN5O2/c1-11-9-25-16(15(8-21-25)23-6-2-3-17(23)26)10-24(11)18(27)22-12-4-5-14(20)13(19)7-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,22,27)/t11-/m0/s1
InChIKeyNYLRLRYVEWOGTE-NSHDSACASA-N
MW391.83 g/mol
LogP3.24
Rot. Bonds2

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

(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484049) has the molecular formula C18H19ClFN5O2 and a molecular weight of 391.83 g/mol. Its IUPAC name is (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484049
Molecular FormulaC18H19ClFN5O2
Molecular Weight391.83 g/mol
Exact Mass391.12
IUPAC Name(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCCC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN5O2/c1-11-9-25-16(15(8-21-25)23-6-2-3-17(23)26)10-24(11)18(27)22-12-4-5-14(20)13(19)7-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,22,27)/t11-/m0/s1
InChIKeyNYLRLRYVEWOGTE-NSHDSACASA-N
XLogP3.24
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484049) is (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CCCC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NYLRLRYVEWOGTE-NSHDSACASA-N. The full InChI is InChI=1S/C18H19ClFN5O2/c1-11-9-25-16(15(8-21-25)23-6-2-3-17(23)26)10-24(11)18(27)22-12-4-5-14(20)13(19)7-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,22,27)/t11-/m0/s1.
What are the key properties of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).