(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C22H20ClFN4O2 — CID 95063279

IUPAC(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C22H20ClFN4O2/c1-14-11-19-20(29)28(18-9-7-17(24)8-10-18)22(2,13-27(19)26-14)21(30)25-12-15-3-5-16(23)6-4-15/h3-11H,12-13H2,1-2H3,(H,25,30)/t22-/m1/s1
InChIKeySMYYZFCVTCEXRK-JOCHJYFZSA-N
MW426.88 g/mol
LogP3.72
Rot. Bonds4

About (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063279) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95063279
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C22H20ClFN4O2/c1-14-11-19-20(29)28(18-9-7-17(24)8-10-18)22(2,13-27(19)26-14)21(30)25-12-15-3-5-16(23)6-4-15/h3-11H,12-13H2,1-2H3,(H,25,30)/t22-/m1/s1
InChIKeySMYYZFCVTCEXRK-JOCHJYFZSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93065003
(6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062881
N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049639
(6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063271
(6S)-5-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93064979
N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049629
(6S)-N-benzyl-5-(4-chlorophenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739052
N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53003559
(6S)-5-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062964
(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062972
5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049624
(6R)-N-[(4-chlorophenyl)methyl]-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062426

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063279) is (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is SMYYZFCVTCEXRK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-14-11-19-20(29)28(18-9-7-17(24)8-10-18)22(2,13-27(19)26-14)21(30)25-12-15-3-5-16(23)6-4-15/h3-11H,12-13H2,1-2H3,(H,25,30)/t22-/m1/s1.
What are the key properties of (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 426.88 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).