N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide

C18H24N4O — CID 167819842

IUPACN-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cn[nH]c1C1CC1)Nc1ccccc1
InChIInChI=1S/C18H24N4O/c1-12(2)16(21-14-6-4-3-5-7-14)11-19-18(23)15-10-20-22-17(15)13-8-9-13/h3-7,10,12-13,16,21H,8-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyKFEWZGGUBAAFRH-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.15
Rot. Bonds7

About N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide

N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide (PubChem CID 167819842) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
PubChem CID167819842
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cn[nH]c1C1CC1)Nc1ccccc1
InChIInChI=1S/C18H24N4O/c1-12(2)16(21-14-6-4-3-5-7-14)11-19-18(23)15-10-20-22-17(15)13-8-9-13/h3-7,10,12-13,16,21H,8-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyKFEWZGGUBAAFRH-UHFFFAOYSA-N
XLogP3.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 97454957
5-cyclohexyl-N-[(2R)-2-hydroxy-3-phenoxypropyl]-1H-pyrazole-4-carboxamide
CID 97155422
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95303336
1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
CID 86798225
N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55793926
N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 95055102
5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 139007445
5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
CID 100695175
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 86815974
1-(2-anilino-3-methylbutyl)-3-(pyridin-3-ylmethyl)urea
CID 86998985

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide (CID 167819842) is N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide is CC(C)C(CNC(=O)c1cn[nH]c1C1CC1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The InChIKey is KFEWZGGUBAAFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)16(21-14-6-4-3-5-7-14)11-19-18(23)15-10-20-22-17(15)13-8-9-13/h3-7,10,12-13,16,21H,8-9,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide?
N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167819842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).