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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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).