N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H17N7O — CID 176501532

IUPACN-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(n2cncn2)CC1)c1cc2ncccn2n1
InChIInChI=1S/C15H17N7O/c23-15(13-8-14-17-6-1-7-21(14)20-13)19-11-2-4-12(5-3-11)22-10-16-9-18-22/h1,6-12H,2-5H2,(H,19,23)
InChIKeyRNWOSCPTKQXIRB-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.23
Rot. Bonds3

About N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 176501532) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID176501532
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCC(n2cncn2)CC1)c1cc2ncccn2n1
InChIInChI=1S/C15H17N7O/c23-15(13-8-14-17-6-1-7-21(14)20-13)19-11-2-4-12(5-3-11)22-10-16-9-18-22/h1,6-12H,2-5H2,(H,19,23)
InChIKeyRNWOSCPTKQXIRB-UHFFFAOYSA-N
XLogP1.23
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 138031289
N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166281654
N-[(2S,3aS)-10,10-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-b][5,1,2]benzoxathiazepin-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146038170
[(3S)-3-fluoropyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 139021652
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
CID 154902517
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440221
N-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4775057
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124757330
carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 140778817
4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126851731
(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679658

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 176501532) is N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCC(n2cncn2)CC1)c1cc2ncccn2n1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RNWOSCPTKQXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c23-15(13-8-14-17-6-1-7-21(14)20-13)19-11-2-4-12(5-3-11)22-10-16-9-18-22/h1,6-12H,2-5H2,(H,19,23).
What are the key properties of N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 176501532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).