1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole

C14H12ClN3 — CID 22087311

IUPAC1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole
SMILESCc1cnn(-c2cccc(Cl)c2)c1-n1cccc1
InChIInChI=1S/C14H12ClN3/c1-11-10-16-18(13-6-4-5-12(15)9-13)14(11)17-7-2-3-8-17/h2-10H,1H3
InChIKeyJAPGGYKNJVDFOA-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.62
Rot. Bonds2

About 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole

1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole (PubChem CID 22087311) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole
PubChem CID22087311
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole
SMILESCc1cnn(-c2cccc(Cl)c2)c1-n1cccc1
InChIInChI=1S/C14H12ClN3/c1-11-10-16-18(13-6-4-5-12(15)9-13)14(11)17-7-2-3-8-17/h2-10H,1H3
InChIKeyJAPGGYKNJVDFOA-UHFFFAOYSA-N
XLogP3.62
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726491
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 115069036
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
CID 117232915
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
10-(3-chlorophenyl)-4-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 939570
[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
CID 66437018
2-[1-(3-chlorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069043
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole?
The IUPAC name of 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole (CID 22087311) is 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole is Cc1cnn(-c2cccc(Cl)c2)c1-n1cccc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole?
The InChIKey is JAPGGYKNJVDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-11-10-16-18(13-6-4-5-12(15)9-13)14(11)17-7-2-3-8-17/h2-10H,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole?
1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole has a molecular weight of 257.72 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole is sourced from PubChem (CID 22087311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).