N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

C15H18ClN5O3 — CID 119552733

IUPACN-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCNC1.Cl
InChIInChI=1S/C15H17N5O3.ClH/c1-18(13-5-7-16-10-13)15(21)14-6-8-19(17-14)11-3-2-4-12(9-11)20(22)23;/h2-4,6,8-9,13,16H,5,7,10H2,1H3;1H
InChIKeyZHRBQCIESFFGQX-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119552733) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119552733
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC NameN-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCNC1.Cl
InChIInChI=1S/C15H17N5O3.ClH/c1-18(13-5-7-16-10-13)15(21)14-6-8-19(17-14)11-3-2-4-12(9-11)20(22)23;/h2-4,6,8-9,13,16H,5,7,10H2,1H3;1H
InChIKeyZHRBQCIESFFGQX-UHFFFAOYSA-N
XLogP1.64
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.64
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

1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119554751
N-(2-adamantyl)-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 86982699
N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119553182
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
CID 119557613
N-(2-methylpiperidin-4-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 120599281
N-methyl-1-(3-nitrophenyl)-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 86833648
ethyl 2-[ethyl-[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]acetate
CID 78902101
N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
CID 119551937
[1-(3-nitrophenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996077
(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 119375214
N-[3-(aminomethyl)pentan-3-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119570628
N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 119552733) is N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is ZHRBQCIESFFGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3.ClH/c1-18(13-5-7-16-10-13)15(21)14-6-8-19(17-14)11-3-2-4-12(9-11)20(22)23;/h2-4,6,8-9,13,16H,5,7,10H2,1H3;1H.
What are the key properties of N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 351.79 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119552733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).