1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide

C17H21N5O3 — CID 119557613

IUPAC1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H21N5O3/c23-17(19-9-6-13-3-2-8-18-12-13)16-7-10-21(20-16)14-4-1-5-15(11-14)22(24)25/h1,4-5,7,10-11,13,18H,2-3,6,8-9,12H2,(H,19,23)
InChIKeyXPFVOJOWSUIWBC-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.90
Rot. Bonds6

About 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide

1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide (PubChem CID 119557613) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
PubChem CID119557613
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H21N5O3/c23-17(19-9-6-13-3-2-8-18-12-13)16-7-10-21(20-16)14-4-1-5-15(11-14)22(24)25/h1,4-5,7,10-11,13,18H,2-3,6,8-9,12H2,(H,19,23)
InChIKeyXPFVOJOWSUIWBC-UHFFFAOYSA-N
XLogP1.90
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.90
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

3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
N-[(3-hydroxycyclohexyl)methyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 111460182
1-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119463346
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119552733
1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628892
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997
N-(2-amino-2-oxoethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 60959424
1-(3-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55678999
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55952742
N-(2-methylpiperidin-4-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 120599281

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide (CID 119557613) is 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide is O=C(NCCC1CCCNC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XPFVOJOWSUIWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-17(19-9-6-13-3-2-8-18-12-13)16-7-10-21(20-16)14-4-1-5-15(11-14)22(24)25/h1,4-5,7,10-11,13,18H,2-3,6,8-9,12H2,(H,19,23).
What are the key properties of 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide?
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119557613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).