3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide

C16H24N6O — CID 56710020

IUPAC3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCC(n3cnnc3)CC2)c(C)n1
InChIInChI=1S/C16H24N6O/c1-3-8-22-9-15(12(2)20-22)16(23)19-13-4-6-14(7-5-13)21-10-17-18-11-21/h9-11,13-14H,3-8H2,1-2H3,(H,19,23)
InChIKeyLPTZVZAGCXFHFS-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.11
Rot. Bonds5

About 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide

3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide (PubChem CID 56710020) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide
PubChem CID56710020
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCC(n3cnnc3)CC2)c(C)n1
InChIInChI=1S/C16H24N6O/c1-3-8-22-9-15(12(2)20-22)16(23)19-13-4-6-14(7-5-13)21-10-17-18-11-21/h9-11,13-14H,3-8H2,1-2H3,(H,19,23)
InChIKeyLPTZVZAGCXFHFS-UHFFFAOYSA-N
XLogP2.11
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 131908727
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CID 25446356
3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
CID 97147352
3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
CID 97126258
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 45188448
N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 56702942
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
CID 131916562
1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide (CID 56710020) is 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide is CCCn1cc(C(=O)NC2CCC(n3cnnc3)CC2)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide?
The InChIKey is LPTZVZAGCXFHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-8-22-9-15(12(2)20-22)16(23)19-13-4-6-14(7-5-13)21-10-17-18-11-21/h9-11,13-14H,3-8H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide?
3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56710020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).