N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide

C15H16N4O3 — CID 71914873

IUPACN-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1
InChIInChI=1S/C15H16N4O3/c1-10-7-14(17-16-10)15(20)18(12-5-6-12)9-11-3-2-4-13(8-11)19(21)22/h2-4,7-8,12H,5-6,9H2,1H3,(H,16,17)
InChIKeyZVXWBZVCPPCGRS-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.43
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide

N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 71914873) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID71914873
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1
InChIInChI=1S/C15H16N4O3/c1-10-7-14(17-16-10)15(20)18(12-5-6-12)9-11-3-2-4-13(8-11)19(21)22/h2-4,7-8,12H,5-6,9H2,1H3,(H,16,17)
InChIKeyZVXWBZVCPPCGRS-UHFFFAOYSA-N
XLogP2.43
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[cyclopropyl-[(3-nitrophenyl)methyl]carbamoyl]amino]propanoic acid
CID 122018507
2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide
CID 86784319
N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94578733
N-[(3-aminophenyl)methyl]-N-(4-methoxycyclohexyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120795
N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829125
N-[(3-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650369
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]urea
CID 110908553
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
N-cyclopropyl-6-ethyl-2-methyl-N-[(3-nitrophenyl)methyl]pyrimidin-4-amine
CID 133472768
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide (CID 71914873) is N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n[nH]1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZVXWBZVCPPCGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-7-14(17-16-10)15(20)18(12-5-6-12)9-11-3-2-4-13(8-11)19(21)22/h2-4,7-8,12H,5-6,9H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide?
N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71914873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).