N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide

C20H27N3O — CID 158752354

IUPACN-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(CC1CC1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-14-18(13-22(5)21-14)19(24)23(12-15-9-10-15)17-8-6-7-16(11-17)20(2,3)4/h6-8,11,13,15H,9-10,12H2,1-5H3
InChIKeyINQHLTXOUMNFLC-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.08
Rot. Bonds4

About N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 158752354) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID158752354
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(CC1CC1)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-14-18(13-22(5)21-14)19(24)23(12-15-9-10-15)17-8-6-7-16(11-17)20(2,3)4/h6-8,11,13,15H,9-10,12H2,1-5H3
InChIKeyINQHLTXOUMNFLC-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
CID 102801161
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
N-cyclopropyl-1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 102802042
(1,3-dimethylpyrazol-4-yl)-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 99600988
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102684082
2-(4-tert-butylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802701
1-(1,3-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 102802687
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801123
6-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 136556663
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
CID 75501481

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide (CID 158752354) is N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(CC1CC1)c1cccc(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is INQHLTXOUMNFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14-18(13-22(5)21-14)19(24)23(12-15-9-10-15)17-8-6-7-16(11-17)20(2,3)4/h6-8,11,13,15H,9-10,12H2,1-5H3.
What are the key properties of N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-N-(cyclopropylmethyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 158752354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).