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

C16H24N6O — CID 70718814

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2nncn2C2CCCCC2)cn1
InChIInChI=1S/C16H24N6O/c1-12(2)22-10-13(8-19-22)16(23)17-9-15-20-18-11-21(15)14-6-4-3-5-7-14/h8,10-12,14H,3-7,9H2,1-2H3,(H,17,23)
InChIKeyWDDXREZHDNCDLB-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.49
Rot. Bonds5

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

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70718814) 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]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70718814
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2nncn2C2CCCCC2)cn1
InChIInChI=1S/C16H24N6O/c1-12(2)22-10-13(8-19-22)16(23)17-9-15-20-18-11-21(15)14-6-4-3-5-7-14/h8,10-12,14H,3-7,9H2,1-2H3,(H,17,23)
InChIKeyWDDXREZHDNCDLB-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70718814) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCc2nncn2C2CCCCC2)cn1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WDDXREZHDNCDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12(2)22-10-13(8-19-22)16(23)17-9-15-20-18-11-21(15)14-6-4-3-5-7-14/h8,10-12,14H,3-7,9H2,1-2H3,(H,17,23).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.49, 5 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]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70718814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).