N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C21H23N3O2 — CID 78883208

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16-14-20(22-24(16)18-10-3-2-4-11-18)21(25)23(17-8-5-6-9-17)15-19-12-7-13-26-19/h2-4,7,10-14,17H,5-6,8-9,15H2,1H3
InChIKeyGGEOBCJHLOEDSW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.36
Rot. Bonds5

About N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 78883208) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID78883208
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16-14-20(22-24(16)18-10-3-2-4-11-18)21(25)23(17-8-5-6-9-17)15-19-12-7-13-26-19/h2-4,7,10-14,17H,5-6,8-9,15H2,1H3
InChIKeyGGEOBCJHLOEDSW-UHFFFAOYSA-N
XLogP4.36
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757023
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46569657
3-[(5-methyl-1-phenylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212253
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
6-chloro-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 103337342
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
N-[2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17448047
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 78883208) is N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccco2)C2CCCC2)nn1-c1ccccc1.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is GGEOBCJHLOEDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-14-20(22-24(16)18-10-3-2-4-11-18)21(25)23(17-8-5-6-9-17)15-19-12-7-13-26-19/h2-4,7,10-14,17H,5-6,8-9,15H2,1H3.
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 78883208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).