2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol

C13H16ClN3O — CID 110019149

IUPAC2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCc1cc(CNc2cnn(CCO)c2)ccc1Cl
InChIInChI=1S/C13H16ClN3O/c1-10-6-11(2-3-13(10)14)7-15-12-8-16-17(9-12)4-5-18/h2-3,6,8-9,15,18H,4-5,7H2,1H3
InChIKeyCVDVNFSNTXUZSN-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol

2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 110019149) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
PubChem CID110019149
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCc1cc(CNc2cnn(CCO)c2)ccc1Cl
InChIInChI=1S/C13H16ClN3O/c1-10-6-11(2-3-13(10)14)7-15-12-8-16-17(9-12)4-5-18/h2-3,6,8-9,15,18H,4-5,7H2,1H3
InChIKeyCVDVNFSNTXUZSN-UHFFFAOYSA-N
XLogP2.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928974
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928879
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
2-[4-[(2-bromo-6-chlorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 146104499
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
2-[4-[(3-chloroanilino)methyl]pyrazol-1-yl]ethanol
CID 64830921
2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol
CID 110928800

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol (CID 110019149) is 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol is Cc1cc(CNc2cnn(CCO)c2)ccc1Cl.
What is the InChIKey of 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is CVDVNFSNTXUZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-10-6-11(2-3-13(10)14)7-15-12-8-16-17(9-12)4-5-18/h2-3,6,8-9,15,18H,4-5,7H2,1H3.
What are the key properties of 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 265.74 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110019149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).