[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol

C16H23N3O — CID 47626527

IUPAC[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCC(C)(C)c1[nH]ncc1CNCc1ccccc1CO
InChIInChI=1S/C16H23N3O/c1-16(2,3)15-14(10-18-19-15)9-17-8-12-6-4-5-7-13(12)11-20/h4-7,10,17,20H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyFPGHBYSXOIUVJC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.49
Rot. Bonds5

About [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol

[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol (PubChem CID 47626527) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
PubChem CID47626527
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCC(C)(C)c1[nH]ncc1CNCc1ccccc1CO
InChIInChI=1S/C16H23N3O/c1-16(2,3)15-14(10-18-19-15)9-17-8-12-6-4-5-7-13(12)11-20/h4-7,10,17,20H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyFPGHBYSXOIUVJC-UHFFFAOYSA-N
XLogP2.49
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
CID 111457794
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 112732597
1-(1,3-benzodioxol-4-yl)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]methanamine
CID 56818291
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
CID 111448944
(1S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579607
(1R)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579606
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114665
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 86808713
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxyaniline
CID 68723027
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 47625050
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfinylethanamine
CID 115632431

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol (CID 47626527) is [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol is CC(C)(C)c1[nH]ncc1CNCc1ccccc1CO.
What is the InChIKey of [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is FPGHBYSXOIUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)15-14(10-18-19-15)9-17-8-12-6-4-5-7-13(12)11-20/h4-7,10,17,20H,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 47626527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).