5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17F2N5O — CID 4748611

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)c1ccncc1
InChIInChI=1S/C18H17F2N5O/c1-10(11-4-6-21-7-5-11)23-18(26)13-9-22-25-15(16(19)20)8-14(12-2-3-12)24-17(13)25/h4-10,12,16H,2-3H2,1H3,(H,23,26)
InChIKeyNQYCPMFGLMTXKR-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.43
Rot. Bonds5

About 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4748611) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4748611
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)c1ccncc1
InChIInChI=1S/C18H17F2N5O/c1-10(11-4-6-21-7-5-11)23-18(26)13-9-22-25-15(16(19)20)8-14(12-2-3-12)24-17(13)25/h4-10,12,16H,2-3H2,1H3,(H,23,26)
InChIKeyNQYCPMFGLMTXKR-UHFFFAOYSA-N
XLogP3.43
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4051025
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768384
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020431
5-cyclopropyl-7-(difluoromethyl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4864752
5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768985
ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 1256831
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
5-cyclopropyl-7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020711
N-(1-adamantylmethyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769268
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4748611) is 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)c1ccncc1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NQYCPMFGLMTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-10(11-4-6-21-7-5-11)23-18(26)13-9-22-25-15(16(19)20)8-14(12-2-3-12)24-17(13)25/h4-10,12,16H,2-3H2,1H3,(H,23,26).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4748611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).