1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide

C19H24N4O2 — CID 77087471

IUPAC1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc(-c3ccccc3)nn2C)CCCCC1
InChIInChI=1S/C19H24N4O2/c1-20-18(25)19(11-7-4-8-12-19)21-17(24)16-13-15(22-23(16)2)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNZVFZEJYPNPDPS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.27
Rot. Bonds4

About 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 77087471) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
PubChem CID77087471
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc(-c3ccccc3)nn2C)CCCCC1
InChIInChI=1S/C19H24N4O2/c1-20-18(25)19(11-7-4-8-12-19)21-17(24)16-13-15(22-23(16)2)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNZVFZEJYPNPDPS-UHFFFAOYSA-N
XLogP2.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide (CID 77087471) is 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide is CNC(=O)C1(NC(=O)c2cc(-c3ccccc3)nn2C)CCCCC1.
What is the InChIKey of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is NZVFZEJYPNPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-20-18(25)19(11-7-4-8-12-19)21-17(24)16-13-15(22-23(16)2)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 77087471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).