3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

C20H17N5O3 — CID 78812981

IUPAC3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccc[nH]2)o1
InChIInChI=1S/C20H17N5O3/c1-13-9-10-17(28-13)18-15(12-25(24-18)14-6-3-2-4-7-14)19(26)22-23-20(27)16-8-5-11-21-16/h2-12,21H,1H3,(H,22,26)(H,23,27)
InChIKeySMSVWXOCPVIIOK-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.84
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide

3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide (PubChem CID 78812981) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
PubChem CID78812981
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccc[nH]2)o1
InChIInChI=1S/C20H17N5O3/c1-13-9-10-17(28-13)18-15(12-25(24-18)14-6-3-2-4-7-14)19(26)22-23-20(27)16-8-5-11-21-16/h2-12,21H,1H3,(H,22,26)(H,23,27)
InChIKeySMSVWXOCPVIIOK-UHFFFAOYSA-N
XLogP2.84
TPSA104.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 78813902
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide
CID 31279912
N-[2-(4-methoxyphenoxy)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55416323
(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55849955

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide (CID 78812981) is 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccc[nH]2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
The InChIKey is SMSVWXOCPVIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-13-9-10-17(28-13)18-15(12-25(24-18)14-6-3-2-4-7-14)19(26)22-23-20(27)16-8-5-11-21-16/h2-12,21H,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide?
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide has a molecular weight of 375.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 78812981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).