3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol

C15H19ClN2O — CID 104846129

IUPAC3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCc1nn(C)c(CC(C)C(O)c2ccccc2)c1Cl
InChIInChI=1S/C15H19ClN2O/c1-10(15(19)12-7-5-4-6-8-12)9-13-14(16)11(2)17-18(13)3/h4-8,10,15,19H,9H2,1-3H3
InChIKeyMAHDAYBVRHUUDL-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol

3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 104846129) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol
PubChem CID104846129
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCc1nn(C)c(CC(C)C(O)c2ccccc2)c1Cl
InChIInChI=1S/C15H19ClN2O/c1-10(15(19)12-7-5-4-6-8-12)9-13-14(16)11(2)17-18(13)3/h4-8,10,15,19H,9H2,1-3H3
InChIKeyMAHDAYBVRHUUDL-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine
CID 104591492
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105106467
4-bromo-5-(3-chloro-2-methyl-3-phenylpropyl)-1,3-dimethylpyrazole
CID 104846442
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-chlorophenyl)propanoic acid
CID 79439189
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440853
5-(3-bromo-2-methyl-3-phenylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 104846532
4-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015475
5-[2-(3-bromophenyl)-3-chloropropyl]-4-chloro-1,3-dimethylpyrazole
CID 79431748
(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025770
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416832
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216893
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol (CID 104846129) is 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol is Cc1nn(C)c(CC(C)C(O)c2ccccc2)c1Cl.
What is the InChIKey of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is MAHDAYBVRHUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10(15(19)12-7-5-4-6-8-12)9-13-14(16)11(2)17-18(13)3/h4-8,10,15,19H,9H2,1-3H3.
What are the key properties of 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol?
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 278.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 104846129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).