(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one

C20H33ClN4O — CID 92604590

IUPAC(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESCc1nn(C[C@@H](C)C(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)c1Cl
InChIInChI=1S/C20H33ClN4O/c1-15(14-25-17(3)19(21)16(2)22-25)20(26)24-12-5-4-8-18(24)9-13-23-10-6-7-11-23/h15,18H,4-14H2,1-3H3/t15-,18-/m1/s1
InChIKeyAFDRAOUHPXXHOV-CRAIPNDOSA-N
MW380.96 g/mol
LogP3.66
Rot. Bonds6

About (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one

(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one (PubChem CID 92604590) has the molecular formula C20H33ClN4O and a molecular weight of 380.96 g/mol. Its IUPAC name is (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
PubChem CID92604590
Molecular FormulaC20H33ClN4O
Molecular Weight380.96 g/mol
Exact Mass380.23
IUPAC Name(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESCc1nn(C[C@@H](C)C(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)c1Cl
InChIInChI=1S/C20H33ClN4O/c1-15(14-25-17(3)19(21)16(2)22-25)20(26)24-12-5-4-8-18(24)9-13-23-10-6-7-11-23/h15,18H,4-14H2,1-3H3/t15-,18-/m1/s1
InChIKeyAFDRAOUHPXXHOV-CRAIPNDOSA-N
XLogP3.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 92582203
3-[(2R)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]propanoic acid
CID 124698919
ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate
CID 56725387
1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111821
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779092
1-[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-2-(4-chloro-3,5-dimethylphenoxy)ethanone
CID 17013771
1-[2-(2-chloroethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 63393873
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide
CID 19568482
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
1-[2-(aminomethyl)piperidin-1-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 119468227

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one (CID 92604590) is (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one is Cc1nn(C[C@@H](C)C(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)c1Cl.
What is the InChIKey of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is AFDRAOUHPXXHOV-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H33ClN4O/c1-15(14-25-17(3)19(21)16(2)22-25)20(26)24-12-5-4-8-18(24)9-13-23-10-6-7-11-23/h15,18H,4-14H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one?
(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 380.96 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92604590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).