[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone

C17H22N4O — CID 119410639

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@H](N)C3)c2)n1
InChIInChI=1S/C17H22N4O/c1-12-8-13(2)21(19-12)10-14-4-3-5-15(9-14)17(22)20-7-6-16(18)11-20/h3-5,8-9,16H,6-7,10-11,18H2,1-2H3/t16-/m1/s1
InChIKeyVQGNCOGTJNIMRQ-MRXNPFEDSA-N
MW298.39 g/mol
LogP1.72
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone (PubChem CID 119410639) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
PubChem CID119410639
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@H](N)C3)c2)n1
InChIInChI=1S/C17H22N4O/c1-12-8-13(2)21(19-12)10-14-4-3-5-15(9-14)17(22)20-7-6-16(18)11-20/h3-5,8-9,16H,6-7,10-11,18H2,1-2H3/t16-/m1/s1
InChIKeyVQGNCOGTJNIMRQ-MRXNPFEDSA-N
XLogP1.72
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119410638
(4-aminopiperidin-1-yl)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119374195
2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide
CID 131961725
[(3R)-3-aminopyrrolidin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 119409665
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618279
(3R)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 124576726
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645620
ethyl 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 39891416
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
(2S)-4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]morpholine-2-carboxylic acid
CID 95891521
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118440
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95155111

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone (CID 119410639) is [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone is Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@H](N)C3)c2)n1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
The InChIKey is VQGNCOGTJNIMRQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-8-13(2)21(19-12)10-14-4-3-5-15(9-14)17(22)20-7-6-16(18)11-20/h3-5,8-9,16H,6-7,10-11,18H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone has a molecular weight of 298.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 119410639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).