[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol

C16H23N3O — CID 107229813

IUPAC[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCC(C)c1nn(C)cc1CNCc1ccc(CO)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)16-15(10-19(3)18-16)9-17-8-13-4-6-14(11-20)7-5-13/h4-7,10,12,17,20H,8-9,11H2,1-3H3
InChIKeyNLQQHIUTRNTGLN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.33
Rot. Bonds6

About [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol

[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol (PubChem CID 107229813) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
PubChem CID107229813
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCC(C)c1nn(C)cc1CNCc1ccc(CO)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)16-15(10-19(3)18-16)9-17-8-13-4-6-14(11-20)7-5-13/h4-7,10,12,17,20H,8-9,11H2,1-3H3
InChIKeyNLQQHIUTRNTGLN-UHFFFAOYSA-N
XLogP2.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol 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-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
1-[3-(methoxymethyl)phenyl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 60957183
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86808154
N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86808137
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 86808153
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
4-[[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methylamino]methyl]-2-methylbenzoic acid
CID 166275263
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522

Frequently Asked Questions

What is the IUPAC name of [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol (CID 107229813) is [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol is CC(C)c1nn(C)cc1CNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is NLQQHIUTRNTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)16-15(10-19(3)18-16)9-17-8-13-4-6-14(11-20)7-5-13/h4-7,10,12,17,20H,8-9,11H2,1-3H3.
What are the key properties of [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol?
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107229813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).