3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole

C23H33N3O — CID 42345611

IUPAC3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCOC[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C23H33N3O/c1-25-15-22(16-26-13-12-18(14-26)17-27-2)23(24-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-11,15,18-19H,3-7,12-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyLVXFIPBFRIGEDK-SFHVURJKSA-N
MW367.54 g/mol
LogP4.60
Rot. Bonds6

About 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole

3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole (PubChem CID 42345611) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
PubChem CID42345611
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCOC[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C23H33N3O/c1-25-15-22(16-26-13-12-18(14-26)17-27-2)23(24-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-11,15,18-19H,3-7,12-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyLVXFIPBFRIGEDK-SFHVURJKSA-N
XLogP4.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-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

(R)-[1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25288969
2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
CID 95868809
1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
CID 74235992
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
4-[[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methylamino]methyl]-1-ethylpyrrolidin-2-one
CID 45177785
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45241479
N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 91796696
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45182675
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
[4-methoxy-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 65327539
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole (CID 42345611) is 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole is COC[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
The InChIKey is LVXFIPBFRIGEDK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H33N3O/c1-25-15-22(16-26-13-12-18(14-26)17-27-2)23(24-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-11,15,18-19H,3-7,12-14,16-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole?
3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole has a molecular weight of 367.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 42345611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).