2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C17H25N5O — CID 95978358

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H25N5O/c1-11-9-12(2)22(18-11)10-16(23)21-8-6-7-15(21)17-13(3)19-20(5)14(17)4/h9,15H,6-8,10H2,1-5H3/t15-/m1/s1
InChIKeyZJEMPNWVQHLRTP-OAHLLOKOSA-N
MW315.42 g/mol
LogP2.21
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95978358) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95978358
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H25N5O/c1-11-9-12(2)22(18-11)10-16(23)21-8-6-7-15(21)17-13(3)19-20(5)14(17)4/h9,15H,6-8,10H2,1-5H3/t15-/m1/s1
InChIKeyZJEMPNWVQHLRTP-OAHLLOKOSA-N
XLogP2.21
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978464
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735674
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56779603
2-(cyclopropylmethylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881299
2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
CID 136526405
2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978384
1,6-dimethyl-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 95735764
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
3-(2,3-difluorophenyl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95978508
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95978358) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZJEMPNWVQHLRTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11-9-12(2)22(18-11)10-16(23)21-8-6-7-15(21)17-13(3)19-20(5)14(17)4/h9,15H,6-8,10H2,1-5H3/t15-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95978358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).