1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole

C21H21FN2O — CID 72703076

IUPAC1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole
SMILESCc1cnn(C(c2ccc(OCc3ccc(F)cc3)cc2)C2CC2)c1
InChIInChI=1S/C21H21FN2O/c1-15-12-23-24(13-15)21(17-4-5-17)18-6-10-20(11-7-18)25-14-16-2-8-19(22)9-3-16/h2-3,6-13,17,21H,4-5,14H2,1H3
InChIKeyKCCRXYCFNFKKKT-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.91
Rot. Bonds6

About 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole

1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole (PubChem CID 72703076) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole
PubChem CID72703076
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole
SMILESCc1cnn(C(c2ccc(OCc3ccc(F)cc3)cc2)C2CC2)c1
InChIInChI=1S/C21H21FN2O/c1-15-12-23-24(13-15)21(17-4-5-17)18-6-10-20(11-7-18)25-14-16-2-8-19(22)9-3-16/h2-3,6-13,17,21H,4-5,14H2,1H3
InChIKeyKCCRXYCFNFKKKT-UHFFFAOYSA-N
XLogP4.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole 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-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
(1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)methanol
CID 16187569
(1,4-dioxan-2-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190228
1,2-dimethyl-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190324
1-(2-methoxyethyl)-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190632
1-[1-(2-methoxyethyl)piperidin-3-yl]-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16191059
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
3-methoxy-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 16191202
1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinol
CID 16191407

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole?
The IUPAC name of 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole (CID 72703076) is 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole.
What is the SMILES notation for 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole?
The canonical SMILES for 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole is Cc1cnn(C(c2ccc(OCc3ccc(F)cc3)cc2)C2CC2)c1.
What is the InChIKey of 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole?
The InChIKey is KCCRXYCFNFKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-15-12-23-24(13-15)21(17-4-5-17)18-6-10-20(11-7-18)25-14-16-2-8-19(22)9-3-16/h2-3,6-13,17,21H,4-5,14H2,1H3.
What are the key properties of 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole?
1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole has a molecular weight of 336.41 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylpyrazole is sourced from PubChem (CID 72703076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).