N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C18H16FN3O2 — CID 77085716

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(F)cc2)o1)c1n[nH]c2c1CCC2
InChIInChI=1S/C18H16FN3O2/c19-12-6-4-11(5-7-12)16-9-8-13(24-16)10-20-18(23)17-14-2-1-3-15(14)21-22-17/h4-9H,1-3,10H2,(H,20,23)(H,21,22)
InChIKeyOSQCNFKKCYVMPX-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.23
Rot. Bonds4

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 77085716) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID77085716
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(F)cc2)o1)c1n[nH]c2c1CCC2
InChIInChI=1S/C18H16FN3O2/c19-12-6-4-11(5-7-12)16-9-8-13(24-16)10-20-18(23)17-14-2-1-3-15(14)21-22-17/h4-9H,1-3,10H2,(H,20,23)(H,21,22)
InChIKeyOSQCNFKKCYVMPX-UHFFFAOYSA-N
XLogP3.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 24672801
N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3975451
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 146086697
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 77085716) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is OSQCNFKKCYVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-12-6-4-11(5-7-12)16-9-8-13(24-16)10-20-18(23)17-14-2-1-3-15(14)21-22-17/h4-9H,1-3,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 77085716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).