(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone

C10H14ClN3O — CID 65417892

IUPAC(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c[nH]2)CCN1
InChIInChI=1S/C10H14ClN3O/c1-7-6-14(3-2-12-7)10(15)9-4-8(11)5-13-9/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyPZPMVDVSIONPKL-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.10
Rot. Bonds1

About (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone

(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 65417892) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID65417892
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c[nH]2)CCN1
InChIInChI=1S/C10H14ClN3O/c1-7-6-14(3-2-12-7)10(15)9-4-8(11)5-13-9/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyPZPMVDVSIONPKL-UHFFFAOYSA-N
XLogP1.10
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1H-pyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979359
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535398
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(4-chloro-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746683
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974783
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706740

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone (CID 65417892) is (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)c[nH]2)CCN1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is PZPMVDVSIONPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-6-14(3-2-12-7)10(15)9-4-8(11)5-13-9/h4-5,7,12-13H,2-3,6H2,1H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone?
(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 227.69 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 65417892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).