N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C17H15ClN4O2 — CID 6077693

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c1-10-3-8-16(24-10)14-9-15(21-20-14)17(23)22-19-11(2)12-4-6-13(18)7-5-12/h3-9H,1-2H3,(H,20,21)(H,22,23)/b19-11-
InChIKeyVOOLEVVTPBEHGJ-ODLFYWEKSA-N
MW342.79 g/mol
LogP3.79
Rot. Bonds4

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6077693) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6077693
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c1-10-3-8-16(24-10)14-9-15(21-20-14)17(23)22-19-11(2)12-4-6-13(18)7-5-12/h3-9H,1-2H3,(H,20,21)(H,22,23)/b19-11-
InChIKeyVOOLEVVTPBEHGJ-ODLFYWEKSA-N
XLogP3.79
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 51057015
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6068774
5-(furan-2-yl)-N-[(E)-1-phenylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5395130
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6092910
N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6106656
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 1185518
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 6077693) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is VOOLEVVTPBEHGJ-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-10-3-8-16(24-10)14-9-15(21-20-14)17(23)22-19-11(2)12-4-6-13(18)7-5-12/h3-9H,1-2H3,(H,20,21)(H,22,23)/b19-11-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6077693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).