[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol

C13H15ClN2O — CID 66437018

IUPAC[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-2-4-13-10(9-17)8-15-16(13)12-6-3-5-11(14)7-12/h3,5-8,17H,2,4,9H2,1H3
InChIKeyBQDFJYXVZHMLBR-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.97
Rot. Bonds4

About [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol

[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol (PubChem CID 66437018) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
PubChem CID66437018
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-2-4-13-10(9-17)8-15-16(13)12-6-3-5-11(14)7-12/h3,5-8,17H,2,4,9H2,1H3
InChIKeyBQDFJYXVZHMLBR-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66440403
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437016
[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436357
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
[1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol
CID 66438779
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809
2-[1-(3-chlorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069043
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
CID 66441286

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol (CID 66437018) is [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol is CCCc1c(CO)cnn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol?
The InChIKey is BQDFJYXVZHMLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-4-13-10(9-17)8-15-16(13)12-6-3-5-11(14)7-12/h3,5-8,17H,2,4,9H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol?
[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol has a molecular weight of 250.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 66437018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).