[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

C20H23N5O — CID 95606018

IUPAC[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C20H23N5O/c1-15-13-16(2)25(21-15)14-18-9-6-11-23(18)20(26)19-10-12-24(22-19)17-7-4-3-5-8-17/h3-5,7-8,10,12-13,18H,6,9,11,14H2,1-2H3/t18-/m0/s1
InChIKeyUJHNMNBXJPLQGU-SFHVURJKSA-N
MW349.44 g/mol
LogP2.99
Rot. Bonds4

About [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone

[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (PubChem CID 95606018) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
PubChem CID95606018
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C20H23N5O/c1-15-13-16(2)25(21-15)14-18-9-6-11-23(18)20(26)19-10-12-24(22-19)17-7-4-3-5-8-17/h3-5,7-8,10,12-13,18H,6,9,11,14H2,1-2H3/t18-/m0/s1
InChIKeyUJHNMNBXJPLQGU-SFHVURJKSA-N
XLogP2.99
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605972
1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605865
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95605939
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone (CID 95606018) is [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3)n2)n1.
What is the InChIKey of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is UJHNMNBXJPLQGU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-13-16(2)25(21-15)14-18-9-6-11-23(18)20(26)19-10-12-24(22-19)17-7-4-3-5-8-17/h3-5,7-8,10,12-13,18H,6,9,11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone?
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 95606018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).