2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C18H24ClN3O — CID 47611292

IUPAC2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C18H24ClN3O/c1-12-17(13(2)22(21-12)9-10-23)11-20-18(14-3-4-14)15-5-7-16(19)8-6-15/h5-8,14,18,20,23H,3-4,9-11H2,1-2H3
InChIKeyXYNDHVAAHILWKI-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.39
Rot. Bonds7

About 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 47611292) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID47611292
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C18H24ClN3O/c1-12-17(13(2)22(21-12)9-10-23)11-20-18(14-3-4-14)15-5-7-16(19)8-6-15/h5-8,14,18,20,23H,3-4,9-11H2,1-2H3
InChIKeyXYNDHVAAHILWKI-UHFFFAOYSA-N
XLogP3.39
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 52536037
2-[4-[[[1-(4-chlorophenyl)cyclobutyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 49464223
2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905540
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905546
2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 95582519
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
(1S)-1-cyclopropyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 52532790
2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110906220
(1R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 27655607
4-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94821388
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252007
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 47611292) is 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is XYNDHVAAHILWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-12-17(13(2)22(21-12)9-10-23)11-20-18(14-3-4-14)15-5-7-16(19)8-6-15/h5-8,14,18,20,23H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 333.86 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 47611292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).