(5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22F2N4O2 — CID 136670391

IUPAC(5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c2N[C@@H](C2CC2)C[C@@H]3C(F)F)cc1
InChIInChI=1S/C19H22F2N4O2/c1-27-13-6-2-11(3-7-13)9-22-19(26)14-10-23-25-16(17(20)21)8-15(12-4-5-12)24-18(14)25/h2-3,6-7,10,12,15-17,24H,4-5,8-9H2,1H3,(H,22,26)/t15-,16-/m1/s1
InChIKeyYPILUYPVRNKMLI-HZPDHXFCSA-N
MW376.41 g/mol
LogP3.22
Rot. Bonds6

About (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136670391) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136670391
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c2N[C@@H](C2CC2)C[C@@H]3C(F)F)cc1
InChIInChI=1S/C19H22F2N4O2/c1-27-13-6-2-11(3-7-13)9-22-19(26)14-10-23-25-16(17(20)21)8-15(12-4-5-12)24-18(14)25/h2-3,6-7,10,12,15-17,24H,4-5,8-9H2,1H3,(H,22,26)/t15-,16-/m1/s1
InChIKeyYPILUYPVRNKMLI-HZPDHXFCSA-N
XLogP3.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136670487
(5S,7S)-5-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1013245
(5S,7S)-5-(1,3-benzodioxol-5-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1127594
(5S,7R)-7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 996820
(5R,7R)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135936025
(5S,7R)-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135915794
(5R,7R)-5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135567080
1-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(2,4-dimethoxyphenyl)thiourea
CID 136737199
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020
1-[[7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(2-methoxyphenyl)thiourea
CID 4866955
(5S,7S)-5-(4-ethylphenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135730380
1-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 136737266

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136670391) is (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2cnn3c2N[C@@H](C2CC2)C[C@@H]3C(F)F)cc1.
What is the InChIKey of (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YPILUYPVRNKMLI-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-27-13-6-2-11(3-7-13)9-22-19(26)14-10-23-25-16(17(20)21)8-15(12-4-5-12)24-18(14)25/h2-3,6-7,10,12,15-17,24H,4-5,8-9H2,1H3,(H,22,26)/t15-,16-/m1/s1.
What are the key properties of (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-cyclopropyl-7-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136670391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).