5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

C18H24N4O — CID 71580020

IUPAC5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(C3CCCCC3)c2C)n1
InChIInChI=1S/C18H24N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,20,23)
InChIKeyBWRXTGUNILQFCM-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.73
Rot. Bonds3

About 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 71580020) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID71580020
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(C3CCCCC3)c2C)n1
InChIInChI=1S/C18H24N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,20,23)
InChIKeyBWRXTGUNILQFCM-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 71580020) is 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2nn(C)c(C3CCCCC3)c2C)n1.
What is the InChIKey of 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is BWRXTGUNILQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,20,23).
What are the key properties of 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71580020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).