N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide

C16H24N6O — CID 135117050

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nncn1C1CCCCC1)n1cccn1
InChIInChI=1S/C16H24N6O/c1-2-14(22-10-6-9-19-22)16(23)17-11-15-20-18-12-21(15)13-7-4-3-5-8-13/h6,9-10,12-14H,2-5,7-8,11H2,1H3,(H,17,23)
InChIKeyVSVAUTWNNGBGGO-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.25
Rot. Bonds6

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 135117050) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID135117050
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nncn1C1CCCCC1)n1cccn1
InChIInChI=1S/C16H24N6O/c1-2-14(22-10-6-9-19-22)16(23)17-11-15-20-18-12-21(15)13-7-4-3-5-8-13/h6,9-10,12-14H,2-5,7-8,11H2,1H3,(H,17,23)
InChIKeyVSVAUTWNNGBGGO-UHFFFAOYSA-N
XLogP2.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 135117050) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1nncn1C1CCCCC1)n1cccn1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is VSVAUTWNNGBGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-2-14(22-10-6-9-19-22)16(23)17-11-15-20-18-12-21(15)13-7-4-3-5-8-13/h6,9-10,12-14H,2-5,7-8,11H2,1H3,(H,17,23).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 316.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 135117050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).