N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C19H26N4O — CID 119612978

IUPACN-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC(CN)C3CC3)c2C(C)C)cc1
InChIInChI=1S/C19H26N4O/c1-12(2)18-16(19(24)22-17(10-20)14-6-7-14)11-21-23(18)15-8-4-13(3)5-9-15/h4-5,8-9,11-12,14,17H,6-7,10,20H2,1-3H3,(H,22,24)
InChIKeyLYUWQMBLBGVFOC-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.77
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 119612978) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID119612978
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC(CN)C3CC3)c2C(C)C)cc1
InChIInChI=1S/C19H26N4O/c1-12(2)18-16(19(24)22-17(10-20)14-6-7-14)11-21-23(18)15-8-4-13(3)5-9-15/h4-5,8-9,11-12,14,17H,6-7,10,20H2,1-3H3,(H,22,24)
InChIKeyLYUWQMBLBGVFOC-UHFFFAOYSA-N
XLogP2.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119590449
N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119614921
N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 124683176
N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 119614350
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971
cis-(1S,3R)-3-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676356
N-(2-amino-2-ethylbutyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119639876
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119617665
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
N-(2-amino-1-cyclopentylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106737336
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797748

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 119612978) is N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NC(CN)C3CC3)c2C(C)C)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is LYUWQMBLBGVFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)18-16(19(24)22-17(10-20)14-6-7-14)11-21-23(18)15-8-4-13(3)5-9-15/h4-5,8-9,11-12,14,17H,6-7,10,20H2,1-3H3,(H,22,24).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119612978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).