[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol

C14H16BrClN2O — CID 55170494

IUPAC[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
SMILESCCCc1nn(Cc2cccc(Br)c2)c(Cl)c1CO
InChIInChI=1S/C14H16BrClN2O/c1-2-4-13-12(9-19)14(16)18(17-13)8-10-5-3-6-11(15)7-10/h3,5-7,19H,2,4,8-9H2,1H3
InChIKeyUGYNQTCLZWPFLZ-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.79
Rot. Bonds5

About [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol

[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol (PubChem CID 55170494) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
PubChem CID55170494
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol
SMILESCCCc1nn(Cc2cccc(Br)c2)c(Cl)c1CO
InChIInChI=1S/C14H16BrClN2O/c1-2-4-13-12(9-19)14(16)18(17-13)8-10-5-3-6-11(15)7-10/h3,5-7,19H,2,4,8-9H2,1H3
InChIKeyUGYNQTCLZWPFLZ-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
CID 43333639
[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol
CID 63276258
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
1-[(3-bromophenyl)methyl]-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 55187475
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde
CID 63278953
2-[1-[(3-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 79225159
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
5-chloro-1-[(3-chlorophenyl)methyl]-4-nitro-3-propylpyrazole
CID 66014301
1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66016696
1-[(3-bromophenyl)methyl]-5-chloro-3-propan-2-ylpyrazole-4-carbonitrile
CID 63787909
5-chloro-4-(chloromethyl)-3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole
CID 63279061

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol (CID 55170494) is [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol is CCCc1nn(Cc2cccc(Br)c2)c(Cl)c1CO.
What is the InChIKey of [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol?
The InChIKey is UGYNQTCLZWPFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-2-4-13-12(9-19)14(16)18(17-13)8-10-5-3-6-11(15)7-10/h3,5-7,19H,2,4,8-9H2,1H3.
What are the key properties of [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol?
[1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol has a molecular weight of 343.65 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methyl]-5-chloro-3-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 55170494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).