4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole

C8H8ClN3 — CID 144831547

IUPAC4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole
SMILESCn1cc(-c2c[nH]cc2Cl)cn1
InChIInChI=1S/C8H8ClN3/c1-12-5-6(2-11-12)7-3-10-4-8(7)9/h2-5,10H,1H3
InChIKeyJRLKLBBRRGAVNL-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.07
Rot. Bonds1

About 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole

4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole (PubChem CID 144831547) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole
PubChem CID144831547
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole
SMILESCn1cc(-c2c[nH]cc2Cl)cn1
InChIInChI=1S/C8H8ClN3/c1-12-5-6(2-11-12)7-3-10-4-8(7)9/h2-5,10H,1H3
InChIKeyJRLKLBBRRGAVNL-UHFFFAOYSA-N
XLogP2.07
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-2-methyl-4-(1-methylpyrazol-4-yl)aniline
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[2-(1-methylpyrazol-4-yl)phenyl]phosphane
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3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 168665646
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
CID 165494673
5-(1-methylpyrazol-4-yl)-1H-pyrimidine-6-thione
CID 106515837
9-chloro-4-(1-methylpyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one
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5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole?
The IUPAC name of 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole (CID 144831547) is 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole.
What is the SMILES notation for 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole?
The canonical SMILES for 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole is Cn1cc(-c2c[nH]cc2Cl)cn1.
What is the InChIKey of 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole?
The InChIKey is JRLKLBBRRGAVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-12-5-6(2-11-12)7-3-10-4-8(7)9/h2-5,10H,1H3.
What are the key properties of 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole?
4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole has a molecular weight of 181.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-pyrrol-3-yl)-1-methylpyrazole is sourced from PubChem (CID 144831547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).