N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C19H16FN7O — CID 44824708

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCn1nc(C2CC2)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C19H16FN7O/c1-26-17(9-15(25-26)12-2-3-12)24-18(28)16-8-14(11-4-6-13(20)7-5-11)23-19-21-10-22-27(16)19/h4-10,12H,2-3H2,1H3,(H,24,28)
InChIKeyFEJVPAZJENSGEL-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.79
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 44824708) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID44824708
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCn1nc(C2CC2)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12
InChIInChI=1S/C19H16FN7O/c1-26-17(9-15(25-26)12-2-3-12)24-18(28)16-8-14(11-4-6-13(20)7-5-11)23-19-21-10-22-27(16)19/h4-10,12H,2-3H2,1H3,(H,24,28)
InChIKeyFEJVPAZJENSGEL-UHFFFAOYSA-N
XLogP2.79
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 44824810
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 51855183
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 44824942
5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 51855305
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 99632374
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 125169503
5-cyclopropyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 131065089
N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 19589146

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 44824708) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is Cn1nc(C2CC2)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn12.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is FEJVPAZJENSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O/c1-26-17(9-15(25-26)12-2-3-12)24-18(28)16-8-14(11-4-6-13(20)7-5-11)23-19-21-10-22-27(16)19/h4-10,12H,2-3H2,1H3,(H,24,28).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44824708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).