3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one

C17H24ClN5O — CID 125174346

IUPAC3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCc1nccn1CC[C@H]1CCCCN1C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C17H24ClN5O/c1-14-19-7-11-21(14)9-5-16-4-2-3-8-23(16)17(24)6-10-22-13-15(18)12-20-22/h7,11-13,16H,2-6,8-10H2,1H3/t16-/m1/s1
InChIKeyDZBBTHSZEXEGRV-MRXNPFEDSA-N
MW349.87 g/mol
LogP2.90
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one

3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 125174346) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
PubChem CID125174346
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCc1nccn1CC[C@H]1CCCCN1C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C17H24ClN5O/c1-14-19-7-11-21(14)9-5-16-4-2-3-8-23(16)17(24)6-10-22-13-15(18)12-20-22/h7,11-13,16H,2-6,8-10H2,1H3/t16-/m1/s1
InChIKeyDZBBTHSZEXEGRV-MRXNPFEDSA-N
XLogP2.90
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 70735720
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 96579454
3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 97153501
1-[2-[(2S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97115498
3-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(2-methylphenyl)-3-oxopropanamide
CID 94612882
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 96573836
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 126448080
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 125162917
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 92582203
[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574821

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one (CID 125174346) is 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one is Cc1nccn1CC[C@H]1CCCCN1C(=O)CCn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is DZBBTHSZEXEGRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-14-19-7-11-21(14)9-5-16-4-2-3-8-23(16)17(24)6-10-22-13-15(18)12-20-22/h7,11-13,16H,2-6,8-10H2,1H3/t16-/m1/s1.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 349.87 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 125174346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).