N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide

C20H24N6O4 — CID 6382607

IUPACN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H24N6O4/c1-12(22-23-20(28)18-17(26(29)30)13(2)24-25(18)3)14-8-10-16(11-9-14)21-19(27)15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,21,27)(H,23,28)/b22-12-
InChIKeyYLAYHHYWGOGYKQ-UUYOSTAYSA-N
MW412.45 g/mol
LogP2.92
Rot. Bonds6

About N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide

N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide (PubChem CID 6382607) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
PubChem CID6382607
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC NameN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H24N6O4/c1-12(22-23-20(28)18-17(26(29)30)13(2)24-25(18)3)14-8-10-16(11-9-14)21-19(27)15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,21,27)(H,23,28)/b22-12-
InChIKeyYLAYHHYWGOGYKQ-UUYOSTAYSA-N
XLogP2.92
TPSA131.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 4249244
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6064694
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide (CID 6382607) is N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide is C/C(=N/NC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
The InChIKey is YLAYHHYWGOGYKQ-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-12(22-23-20(28)18-17(26(29)30)13(2)24-25(18)3)14-8-10-16(11-9-14)21-19(27)15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,21,27)(H,23,28)/b22-12-.
What are the key properties of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 6382607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).