4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol

C16H22ClN3O — CID 111469660

IUPAC4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1cn(C)nc1-c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O/c1-12(7-8-21)9-18-10-13-11-20(2)19-16(13)14-5-3-4-6-15(14)17/h3-6,11-12,18,21H,7-10H2,1-2H3
InChIKeyURJANMUXDIJNPQ-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.85
Rot. Bonds7

About 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol

4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol (PubChem CID 111469660) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
PubChem CID111469660
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1cn(C)nc1-c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O/c1-12(7-8-21)9-18-10-13-11-20(2)19-16(13)14-5-3-4-6-15(14)17/h3-6,11-12,18,21H,7-10H2,1-2H3
InChIKeyURJANMUXDIJNPQ-UHFFFAOYSA-N
XLogP2.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol 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

3-(3-chlorophenyl)-4-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-1-methyl-1H-pyrazole
CID 16191939
((2S)-1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-2-pyrrolidinyl)methanol
CID 16189909
N-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine
CID 16192305
2-(2-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]azepane
CID 46366474
2-({[1-Phenyl-3-(2-chlorophenyl)-4-pyrazolyl]-methyl}amino)ethanol
CID 16342011
{4-(2-chlorobenzyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}methanol
CID 25308137
{4-(2-chlorobenzyl)-1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}methanol
CID 26329792
1-({[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)-2-butanol
CID 45212002
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-(2-chloro-4-fluorobenzyl)methanamine
CID 46987011
(1R)-1-(2-chlorophenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 52394473
[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
CID 86787511
(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 99824209

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol (CID 111469660) is 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol is CC(CCO)CNCc1cn(C)nc1-c1ccccc1Cl.
What is the InChIKey of 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The InChIKey is URJANMUXDIJNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12(7-8-21)9-18-10-13-11-20(2)19-16(13)14-5-3-4-6-15(14)17/h3-6,11-12,18,21H,7-10H2,1-2H3.
What are the key properties of 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol has a molecular weight of 307.82 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 111469660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).