N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

C21H26N6O — CID 6283922

IUPACN-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCCCCn1nc(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)c1C
InChIInChI=1S/C21H26N6O/c1-4-5-9-12-27-16(3)18(15(2)26-27)14-22-25-21(28)20-13-19(23-24-20)17-10-7-6-8-11-17/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,23,24)(H,25,28)/b22-14-
InChIKeyYYZXQQIEGCUVIR-HMAPJEAMSA-N
MW378.48 g/mol
LogP3.84
Rot. Bonds8

About N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 6283922) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID6283922
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCCCCn1nc(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)c1C
InChIInChI=1S/C21H26N6O/c1-4-5-9-12-27-16(3)18(15(2)26-27)14-22-25-21(28)20-13-19(23-24-20)17-10-7-6-8-11-17/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,23,24)(H,25,28)/b22-14-
InChIKeyYYZXQQIEGCUVIR-HMAPJEAMSA-N
XLogP3.84
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105907
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5450583
N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869850
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
N-[(Z)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridine-2-carboxamide
CID 9015692
4-bromo-N-[(Z)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983324
3-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891442
N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 129438742
N-[(2,4-dimethylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 58755391
N-[(Z)-benzylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 5402992
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 6283922) is N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is CCCCCn1nc(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)c1C.
What is the InChIKey of N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YYZXQQIEGCUVIR-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H26N6O/c1-4-5-9-12-27-16(3)18(15(2)26-27)14-22-25-21(28)20-13-19(23-24-20)17-10-7-6-8-11-17/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,23,24)(H,25,28)/b22-14-.
What are the key properties of N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6283922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).