N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H16F3N7O — CID 44824695

IUPACN-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CCNC(=O)c1nc2ncccn2n1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N7O/c1-2-10(24-9-5-11(22-24)15(16,17)18)4-7-19-13(26)12-21-14-20-6-3-8-25(14)23-12/h3,5-6,8-10H,2,4,7H2,1H3,(H,19,26)
InChIKeyBJULPPLJAAQTHE-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.11
Rot. Bonds6

About N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824695) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824695
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC NameN-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CCNC(=O)c1nc2ncccn2n1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N7O/c1-2-10(24-9-5-11(22-24)15(16,17)18)4-7-19-13(26)12-21-14-20-6-3-8-25(14)23-12/h3,5-6,8-10H,2,4,7H2,1H3,(H,19,26)
InChIKeyBJULPPLJAAQTHE-UHFFFAOYSA-N
XLogP2.11
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(cyclohexylamino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181636
2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 162676016
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34831861
5-methyl-N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914140
N-(2,5-dimethylpyrazol-3-yl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
CID 72142326
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72895949
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-2-(1H-pyrazol-1-yl)butanamide
CID 72921885
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-2-(1H-pyrazol-1-yl)propanamide
CID 91631450
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110226389
7-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8891832
5,7-dimethyl-N-(2-(6-oxo-3-(1H-1,2,4-triazol-1-yl)pyridazin-1(6H)-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71805267

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824695) is N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCC(CCNC(=O)c1nc2ncccn2n1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BJULPPLJAAQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-2-10(24-9-5-11(22-24)15(16,17)18)4-7-19-13(26)12-21-14-20-6-3-8-25(14)23-12/h3,5-6,8-10H,2,4,7H2,1H3,(H,19,26).
What are the key properties of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 367.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).