3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide

C23H21N5O4 — CID 18228202

IUPAC3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H21N5O4/c1-31-18-11-9-16(10-12-18)24-15-22(29)25-26-23(30)20-14-19(21-8-5-13-32-21)27-28(20)17-6-3-2-4-7-17/h2-14,24H,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyNRBJJBZYHQIBNJ-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.01
Rot. Bonds7

About 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide

3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide (PubChem CID 18228202) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide
PubChem CID18228202
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H21N5O4/c1-31-18-11-9-16(10-12-18)24-15-22(29)25-26-23(30)20-14-19(21-8-5-13-32-21)27-28(20)17-6-3-2-4-7-17/h2-14,24H,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyNRBJJBZYHQIBNJ-UHFFFAOYSA-N
XLogP3.01
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N'-(3-methoxy-4-propoxybenzoyl)-1-phenylpyrazole-5-carbohydrazide
CID 24583652
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
CID 46569851
3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 82370914
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 24586512
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826
3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
CID 42157664
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55689940
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide?
The IUPAC name of 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide (CID 18228202) is 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide?
The InChIKey is NRBJJBZYHQIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-31-18-11-9-16(10-12-18)24-15-22(29)25-26-23(30)20-14-19(21-8-5-13-32-21)27-28(20)17-6-3-2-4-7-17/h2-14,24H,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide?
3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide has a molecular weight of 431.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide is sourced from PubChem (CID 18228202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).