(2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C19H23ClN4O — CID 46975347

IUPAC(2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-n2cccn2)ccc1Cl)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C19H23ClN4O/c20-18-7-6-15(24-12-4-8-21-24)13-17(18)19(25)23-11-3-5-16(14-23)22-9-1-2-10-22/h4,6-8,12-13,16H,1-3,5,9-11,14H2
InChIKeyKUGRMKMCPZYGAH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.23
Rot. Bonds3

About (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 46975347) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID46975347
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name(2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-n2cccn2)ccc1Cl)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C19H23ClN4O/c20-18-7-6-15(24-12-4-8-21-24)13-17(18)19(25)23-11-3-5-16(14-23)22-9-1-2-10-22/h4,6-8,12-13,16H,1-3,5,9-11,14H2
InChIKeyKUGRMKMCPZYGAH-UHFFFAOYSA-N
XLogP3.23
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 46975347) is (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cc(-n2cccn2)ccc1Cl)N1CCCC(N2CCCC2)C1.
What is the InChIKey of (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is KUGRMKMCPZYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-18-7-6-15(24-12-4-8-21-24)13-17(18)19(25)23-11-3-5-16(14-23)22-9-1-2-10-22/h4,6-8,12-13,16H,1-3,5,9-11,14H2.
What are the key properties of (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-pyrazol-1-ylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 46975347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).