N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide

C20H27N3O — CID 56516891

IUPACN-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)N(C(C)C)C2CCCC2)c1C
InChIInChI=1S/C20H27N3O/c1-14(2)22(17-10-6-7-11-17)20(24)18-13-21-23(16(18)4)19-12-8-5-9-15(19)3/h5,8-9,12-14,17H,6-7,10-11H2,1-4H3
InChIKeyBSNUFILIRYNZDJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.28
Rot. Bonds4

About N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide

N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 56516891) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID56516891
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)N(C(C)C)C2CCCC2)c1C
InChIInChI=1S/C20H27N3O/c1-14(2)22(17-10-6-7-11-17)20(24)18-13-21-23(16(18)4)19-12-8-5-9-15(19)3/h5,8-9,12-14,17H,6-7,10-11H2,1-4H3
InChIKeyBSNUFILIRYNZDJ-UHFFFAOYSA-N
XLogP4.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
CID 119202793
5-methyl-1-(2-methylphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119823592
N-cyclopropyl-5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 90381890
5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119530361
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124689060
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
CID 119213639
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
N-(1,1-dioxothiolan-3-yl)-5-methyl-1-(2-methylphenyl)-N-prop-2-enylpyrazole-4-carboxamide
CID 51124307
2-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-cyclopropylamino]propanoic acid
CID 119202302

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide (CID 56516891) is N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)N(C(C)C)C2CCCC2)c1C.
What is the InChIKey of N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BSNUFILIRYNZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)22(17-10-6-7-11-17)20(24)18-13-21-23(16(18)4)19-12-8-5-9-15(19)3/h5,8-9,12-14,17H,6-7,10-11H2,1-4H3.
What are the key properties of N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide?
N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56516891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).