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

C14H17ClN2O — CID 43333662

IUPAC[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCc1cccc(-n2nc(C(C)C)c(CO)c2Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-9(2)13-12(8-18)14(15)17(16-13)11-6-4-5-10(3)7-11/h4-7,9,18H,8H2,1-3H3
InChIKeyNQHWQPAWSKPNMN-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.45
Rot. Bonds3

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

[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 43333662) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
PubChem CID43333662
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCc1cccc(-n2nc(C(C)C)c(CO)c2Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-9(2)13-12(8-18)14(15)17(16-13)11-6-4-5-10(3)7-11/h4-7,9,18H,8H2,1-3H3
InChIKeyNQHWQPAWSKPNMN-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333647
4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole
CID 126742997
[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 81254769
[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333643
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 110887880
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43328356
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol (CID 43333662) is [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol is Cc1cccc(-n2nc(C(C)C)c(CO)c2Cl)c1.
What is the InChIKey of [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is NQHWQPAWSKPNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9(2)13-12(8-18)14(15)17(16-13)11-6-4-5-10(3)7-11/h4-7,9,18H,8H2,1-3H3.
What are the key properties of [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 264.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 43333662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).