[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol

C13H15ClN2O — CID 66437016

IUPAC[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-9(2)13-10(8-17)7-15-16(13)12-5-3-4-11(14)6-12/h3-7,9,17H,8H2,1-2H3
InChIKeyFWOKXVQISHCMMW-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.14
Rot. Bonds3

About [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 66437016) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
PubChem CID66437016
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-9(2)13-10(8-17)7-15-16(13)12-5-3-4-11(14)6-12/h3-7,9,17H,8H2,1-2H3
InChIKeyFWOKXVQISHCMMW-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452
[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
CID 66437018
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200265
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
4-(bromomethyl)-1-(3-bromophenyl)-5-propan-2-ylpyrazole
CID 66437281
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068
1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55688332

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol (CID 66437016) is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol is CC(C)c1c(CO)cnn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is FWOKXVQISHCMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(2)13-10(8-17)7-15-16(13)12-5-3-4-11(14)6-12/h3-7,9,17H,8H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol?
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 250.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 66437016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).