N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide

C14H17N5O3 — CID 119583620

IUPACN-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H17N5O3/c1-10(9-15)17(2)14(20)13-7-8-18(16-13)11-3-5-12(6-4-11)19(21)22/h3-8,10H,9,15H2,1-2H3
InChIKeyUYINLZDDBAFVIK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.20
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide

N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 119583620) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide
PubChem CID119583620
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H17N5O3/c1-10(9-15)17(2)14(20)13-7-8-18(16-13)11-3-5-12(6-4-11)19(21)22/h3-8,10H,9,15H2,1-2H3
InChIKeyUYINLZDDBAFVIK-UHFFFAOYSA-N
XLogP1.20
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119582677
N-(2-hydroxypropyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 43501192
N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 120827751
N-[2-(ethylamino)ethyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 119507489
N-(2-amino-2-ethylbutyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119642145
(2S)-4-methyl-2-[[1-(4-nitrophenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 119361349
N-(2-methylpentan-2-yl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 49365594
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64780391
N-(1-aminopropan-2-yl)-N-methyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119584638
N-(1-aminopropan-2-yl)-4-imidazol-1-yl-N-methyl-3-nitrobenzamide
CID 119584610
N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 14615578
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 119583999

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide (CID 119583620) is N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide is CC(CN)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is UYINLZDDBAFVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10(9-15)17(2)14(20)13-7-8-18(16-13)11-3-5-12(6-4-11)19(21)22/h3-8,10H,9,15H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide?
N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119583620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).