4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol

C12H14ClN3O2 — CID 104646073

IUPAC4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCc2ccn[nH]2)c1O
InChIInChI=1S/C12H14ClN3O2/c1-18-11-5-9(13)4-8(12(11)17)6-14-7-10-2-3-15-16-10/h2-5,14,17H,6-7H2,1H3,(H,15,16)
InChIKeyKMSCQPXXNNUJQO-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.07
Rot. Bonds5

About 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol

4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol (PubChem CID 104646073) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol
PubChem CID104646073
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol
SMILESCOc1cc(Cl)cc(CNCc2ccn[nH]2)c1O
InChIInChI=1S/C12H14ClN3O2/c1-18-11-5-9(13)4-8(12(11)17)6-14-7-10-2-3-15-16-10/h2-5,14,17H,6-7H2,1H3,(H,15,16)
InChIKeyKMSCQPXXNNUJQO-UHFFFAOYSA-N
XLogP2.07
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(4-piperazin-1-yl-1H-pyrazol-5-yl)benzene-1,2-diol
CID 137083700
(1R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42239928
(1S)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42239930
(5-chloro-2,3-dimethoxybenzyl){1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}amine
CID 45177411
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61283907
1-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61284096
4-chloro-2-[(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795043
2-{[[(3-tert-butyl-1H-pyrazol-5-yl)methyl](methyl)amino]methyl}-6-methoxyphenol
CID 50957553
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 56790694
3-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-7-(1H-pyrazol-5-ylmethyl)-3,7-diazabicyclo[4.2.0]octane
CID 168451996
N'-[[5-(3-chloro-5-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 117670981
2-methoxy-3-(1H-pyrazol-5-yl)phenol
CID 176015156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol (CID 104646073) is 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol is COc1cc(Cl)cc(CNCc2ccn[nH]2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol?
The InChIKey is KMSCQPXXNNUJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-18-11-5-9(13)4-8(12(11)17)6-14-7-10-2-3-15-16-10/h2-5,14,17H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol?
4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol has a molecular weight of 267.72 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[(1H-pyrazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 104646073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).