N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide

C14H17N5O3 — CID 120827751

IUPACN-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H17N5O3/c1-10(15-2)9-16-14(20)13-7-8-18(17-13)11-3-5-12(6-4-11)19(21)22/h3-8,10,15H,9H2,1-2H3,(H,16,20)
InChIKeyWLICVKAIDJBRCW-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide

N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 120827751) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
PubChem CID120827751
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H17N5O3/c1-10(15-2)9-16-14(20)13-7-8-18(17-13)11-3-5-12(6-4-11)19(21)22/h3-8,10,15H,9H2,1-2H3,(H,16,20)
InChIKeyWLICVKAIDJBRCW-UHFFFAOYSA-N
XLogP1.12
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
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-(2-hydroxypropyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 43501192
1-(2,6-dichloro-4-nitrophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 120826708
N-[2-(ethylamino)ethyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 119507489
(2S)-4-methyl-2-[[1-(4-nitrophenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 119361349
N-(2-amino-2-ethylbutyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119642145
N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 119583620
N-(2-methylpentan-2-yl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 49365594
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
1-(2,6-dichloro-4-nitrophenyl)-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-carboxamide
CID 120650047
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
N-[2-(methylamino)propyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 120826695
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55683724

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide (CID 120827751) is N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide is CNC(C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is WLICVKAIDJBRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10(15-2)9-16-14(20)13-7-8-18(17-13)11-3-5-12(6-4-11)19(21)22/h3-8,10,15H,9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide?
N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-1-(4-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 120827751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).