[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride

C12H16ClN3O — CID 115615868

IUPAC[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1cccc(CNCc2ccn[nH]2)c1
InChIInChI=1S/C12H15N3O.ClH/c16-9-11-3-1-2-10(6-11)7-13-8-12-4-5-14-15-12;/h1-6,13,16H,7-9H2,(H,14,15);1H
InChIKeyCHPXRJWZICDONY-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.61
Rot. Bonds5

About [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride

[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride (PubChem CID 115615868) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
PubChem CID115615868
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1cccc(CNCc2ccn[nH]2)c1
InChIInChI=1S/C12H15N3O.ClH/c16-9-11-3-1-2-10(6-11)7-13-8-12-4-5-14-15-12;/h1-6,13,16H,7-9H2,(H,14,15);1H
InChIKeyCHPXRJWZICDONY-UHFFFAOYSA-N
XLogP1.61
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79040356
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-naphthalen-2-yl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285657
2-[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenoxy]acetonitrile
CID 61286262
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
CID 107230485
1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 63001149
1-(6-methoxynaphthalen-2-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285857
1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 10539500
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61286252
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884
N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 43662461

Frequently Asked Questions

What is the IUPAC name of [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
The IUPAC name of [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride (CID 115615868) is [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride is Cl.OCc1cccc(CNCc2ccn[nH]2)c1.
What is the InChIKey of [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
The InChIKey is CHPXRJWZICDONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c16-9-11-3-1-2-10(6-11)7-13-8-12-4-5-14-15-12;/h1-6,13,16H,7-9H2,(H,14,15);1H.
What are the key properties of [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride?
[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 115615868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).