2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

C14H18ClN3O — CID 64829552

IUPAC2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCC(NCc1cnn(CCO)c1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(13-4-2-3-5-14(13)15)16-8-12-9-17-18(10-12)6-7-19/h2-5,9-11,16,19H,6-8H2,1H3
InChIKeyDDSPJPAITPSWHW-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.38
Rot. Bonds6

About 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64829552) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64829552
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCC(NCc1cnn(CCO)c1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-11(13-4-2-3-5-14(13)15)16-8-12-9-17-18(10-12)6-7-19/h2-5,9-11,16,19H,6-8H2,1H3
InChIKeyDDSPJPAITPSWHW-UHFFFAOYSA-N
XLogP2.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830577
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
CID 31560301
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 64829552) is 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is CC(NCc1cnn(CCO)c1)c1ccccc1Cl.
What is the InChIKey of 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is DDSPJPAITPSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11(13-4-2-3-5-14(13)15)16-8-12-9-17-18(10-12)6-7-19/h2-5,9-11,16,19H,6-8H2,1H3.
What are the key properties of 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 279.77 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).