2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C25H30N4O — CID 42796424

IUPAC2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1cccnc1)C1CCCC(c2ccccc2)C1
InChIInChI=1S/C25H30N4O/c1-3-29-24(15-19(2)27-29)25(30)28(18-20-9-8-14-26-17-20)23-13-7-12-22(16-23)21-10-5-4-6-11-21/h4-6,8-11,14-15,17,22-23H,3,7,12-13,16,18H2,1-2H3
InChIKeyMHHHLSJCUROMGU-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.98
Rot. Bonds6

About 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 42796424) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID42796424
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1cccnc1)C1CCCC(c2ccccc2)C1
InChIInChI=1S/C25H30N4O/c1-3-29-24(15-19(2)27-29)25(30)28(18-20-9-8-14-26-17-20)23-13-7-12-22(16-23)21-10-5-4-6-11-21/h4-6,8-11,14-15,17,22-23H,3,7,12-13,16,18H2,1-2H3
InChIKeyMHHHLSJCUROMGU-UHFFFAOYSA-N
XLogP4.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 42796424) is 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(Cc1cccnc1)C1CCCC(c2ccccc2)C1.
What is the InChIKey of 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is MHHHLSJCUROMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-29-24(15-19(2)27-29)25(30)28(18-20-9-8-14-26-17-20)23-13-7-12-22(16-23)21-10-5-4-6-11-21/h4-6,8-11,14-15,17,22-23H,3,7,12-13,16,18H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42796424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).