2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

C17H24ClN5O — CID 95606196

IUPAC2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)(C)n1cc(Cl)cn1
InChIInChI=1S/C17H24ClN5O/c1-11-15(12(2)21(5)20-11)14-7-6-8-22(14)16(24)17(3,4)23-10-13(18)9-19-23/h9-10,14H,6-8H2,1-5H3/t14-/m0/s1
InChIKeyAHMHRYCGZGWNMU-AWEZNQCLSA-N
MW349.87 g/mol
LogP2.99
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 95606196) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID95606196
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)(C)n1cc(Cl)cn1
InChIInChI=1S/C17H24ClN5O/c1-11-15(12(2)21(5)20-11)14-7-6-8-22(14)16(24)17(3,4)23-10-13(18)9-19-23/h9-10,14H,6-8H2,1-5H3/t14-/m0/s1
InChIKeyAHMHRYCGZGWNMU-AWEZNQCLSA-N
XLogP2.99
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-2-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 126787823
2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978464
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735701
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978525
2-(cyclopropylmethylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881299
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
1,3-thiazol-4-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735848
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978348
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
1,6-dimethyl-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 95735764
5,6,7,8-tetrahydronaphthalen-2-yl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124547432

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one (CID 95606196) is 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one is Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)(C)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is AHMHRYCGZGWNMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-11-15(12(2)21(5)20-11)14-7-6-8-22(14)16(24)17(3,4)23-10-13(18)9-19-23/h9-10,14H,6-8H2,1-5H3/t14-/m0/s1.
What are the key properties of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one?
2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 349.87 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95606196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).