N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide

C22H19N7O2 — CID 9240820

IUPACN-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESO=C(N/N=C\C=C\c1cn(Cc2ccccc2)nn1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C22H19N7O2/c30-20-16-29(19-11-5-2-6-12-19)26-21(20)22(31)25-23-13-7-10-18-15-28(27-24-18)14-17-8-3-1-4-9-17/h1-13,15-16,30H,14H2,(H,25,31)/b10-7+,23-13-
InChIKeyWZUORIISTMOJHO-LZNIEJQKSA-N
MW413.44 g/mol
LogP2.65
Rot. Bonds7

About N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 9240820) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID9240820
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESO=C(N/N=C\C=C\c1cn(Cc2ccccc2)nn1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C22H19N7O2/c30-20-16-29(19-11-5-2-6-12-19)26-21(20)22(31)25-23-13-7-10-18-15-28(27-24-18)14-17-8-3-1-4-9-17/h1-13,15-16,30H,14H2,(H,25,31)/b10-7+,23-13-
InChIKeyWZUORIISTMOJHO-LZNIEJQKSA-N
XLogP2.65
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-hydroxybenzamide
CID 9212475
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 9231287
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 129431954
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-ethoxybenzamide
CID 9231357
(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine
CID 7130902
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217455
(3S)-N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9215011
(Z)-3-(1-benzyltriazol-4-yl)prop-2-enal
CID 25323162
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline
CID 9350632
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-3-chloroaniline
CID 9211953
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 71898477
3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 171149279

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 9240820) is N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide is O=C(N/N=C\C=C\c1cn(Cc2ccccc2)nn1)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is WZUORIISTMOJHO-LZNIEJQKSA-N. The full InChI is InChI=1S/C22H19N7O2/c30-20-16-29(19-11-5-2-6-12-19)26-21(20)22(31)25-23-13-7-10-18-15-28(27-24-18)14-17-8-3-1-4-9-17/h1-13,15-16,30H,14H2,(H,25,31)/b10-7+,23-13-.
What are the key properties of N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 9240820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).