1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone

C24H32ClN5O2 — CID 157219149

IUPAC1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(Cl)c(N4CCCC4)c3)CC2)n1
InChIInChI=1S/C24H32ClN5O2/c1-18(31)21-8-13-30(26-21)23(32)29-14-9-24(2,10-15-29)27(3)17-19-6-7-20(25)22(16-19)28-11-4-5-12-28/h6-8,13,16H,4-5,9-12,14-15,17H2,1-3H3
InChIKeyMPKLDLGMDHQFNB-UHFFFAOYSA-N
MW458.01 g/mol
LogP4.29
Rot. Bonds5

About 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 157219149) has the molecular formula C24H32ClN5O2 and a molecular weight of 458.01 g/mol. Its IUPAC name is 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID157219149
Molecular FormulaC24H32ClN5O2
Molecular Weight458.01 g/mol
Exact Mass457.22
IUPAC Name1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(Cl)c(N4CCCC4)c3)CC2)n1
InChIInChI=1S/C24H32ClN5O2/c1-18(31)21-8-13-30(26-21)23(32)29-14-9-24(2,10-15-29)27(3)17-19-6-7-20(25)22(16-19)28-11-4-5-12-28/h6-8,13,16H,4-5,9-12,14-15,17H2,1-3H3
InChIKeyMPKLDLGMDHQFNB-UHFFFAOYSA-N
XLogP4.29
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone (CID 157219149) is 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3ccc(Cl)c(N4CCCC4)c3)CC2)n1.
What is the InChIKey of 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is MPKLDLGMDHQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O2/c1-18(31)21-8-13-30(26-21)23(32)29-14-9-24(2,10-15-29)27(3)17-19-6-7-20(25)22(16-19)28-11-4-5-12-28/h6-8,13,16H,4-5,9-12,14-15,17H2,1-3H3.
What are the key properties of 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 458.01 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 157219149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).