(4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C15H19ClN4O — CID 56779039

IUPAC(4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C15H19ClN4O/c1-11-7-18-19(9-11)10-13-4-2-3-5-20(13)15(21)14-6-12(16)8-17-14/h6-9,13,17H,2-5,10H2,1H3
InChIKeyVRXRIHYIMYWQFY-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.87
Rot. Bonds3

About (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779039) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779039
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C15H19ClN4O/c1-11-7-18-19(9-11)10-13-4-2-3-5-20(13)15(21)14-6-12(16)8-17-14/h6-9,13,17H,2-5,10H2,1H3
InChIKeyVRXRIHYIMYWQFY-UHFFFAOYSA-N
XLogP2.87
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779039) is (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2cc(Cl)c[nH]2)c1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is VRXRIHYIMYWQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11-7-18-19(9-11)10-13-4-2-3-5-20(13)15(21)14-6-12(16)8-17-14/h6-9,13,17H,2-5,10H2,1H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 306.80 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).