5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide

C15H22N6O — CID 50954486

IUPAC5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(C2CC2)[nH]n1)c1ncnn1C
InChIInChI=1S/C15H22N6O/c1-9(2)6-12(14-16-8-17-21(14)3)18-15(22)13-7-11(19-20-13)10-4-5-10/h7-10,12H,4-6H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyUNOWRCOFFMCRFR-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.93
Rot. Bonds6

About 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide (PubChem CID 50954486) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide
PubChem CID50954486
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(C2CC2)[nH]n1)c1ncnn1C
InChIInChI=1S/C15H22N6O/c1-9(2)6-12(14-16-8-17-21(14)3)18-15(22)13-7-11(19-20-13)10-4-5-10/h7-10,12H,4-6H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyUNOWRCOFFMCRFR-UHFFFAOYSA-N
XLogP1.93
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide (CID 50954486) is 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide is CC(C)CC(NC(=O)c1cc(C2CC2)[nH]n1)c1ncnn1C.
What is the InChIKey of 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UNOWRCOFFMCRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9(2)6-12(14-16-8-17-21(14)3)18-15(22)13-7-11(19-20-13)10-4-5-10/h7-10,12H,4-6H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 50954486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).