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

C17H14N4O3 — CID 129431954

IUPACN-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESO=C(NN=C/C=C/c1ccco1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C17H14N4O3/c22-15-12-21(13-6-2-1-3-7-13)20-16(15)17(23)19-18-10-4-8-14-9-5-11-24-14/h1-12,22H,(H,19,23)/b8-4+,18-10?
InChIKeyBYDYDPSCRNRGQZ-SDZRQRMZSA-N
MW322.32 g/mol
LogP2.60
Rot. Bonds5

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

N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 129431954) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID129431954
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESO=C(NN=C/C=C/c1ccco1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C17H14N4O3/c22-15-12-21(13-6-2-1-3-7-13)20-16(15)17(23)19-18-10-4-8-14-9-5-11-24-14/h1-12,22H,(H,19,23)/b8-4+,18-10?
InChIKeyBYDYDPSCRNRGQZ-SDZRQRMZSA-N
XLogP2.60
TPSA92.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 9240820
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 71898477
N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798255
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyrazine-2-carboxamide
CID 6883391
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888
N-[3-(furan-2-yl)prop-2-enylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6842495
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 5061171

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 129431954) is N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide is O=C(NN=C/C=C/c1ccco1)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is BYDYDPSCRNRGQZ-SDZRQRMZSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-15-12-21(13-6-2-1-3-7-13)20-16(15)17(23)19-18-10-4-8-14-9-5-11-24-14/h1-12,22H,(H,19,23)/b8-4+,18-10?.
What are the key properties of N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 129431954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).