1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one

C20H23N5O — CID 133493418

IUPAC1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc2c(NC3CCN(C(=O)CCc4ccccc4)C3)nccn2n1
InChIInChI=1S/C20H23N5O/c1-15-13-18-20(21-10-12-25(18)23-15)22-17-9-11-24(14-17)19(26)8-7-16-5-3-2-4-6-16/h2-6,10,12-13,17H,7-9,11,14H2,1H3,(H,21,22)
InChIKeyKIIFVMINWKEYMQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.68
Rot. Bonds5

About 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 133493418) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID133493418
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc2c(NC3CCN(C(=O)CCc4ccccc4)C3)nccn2n1
InChIInChI=1S/C20H23N5O/c1-15-13-18-20(21-10-12-25(18)23-15)22-17-9-11-24(14-17)19(26)8-7-16-5-3-2-4-6-16/h2-6,10,12-13,17H,7-9,11,14H2,1H3,(H,21,22)
InChIKeyKIIFVMINWKEYMQ-UHFFFAOYSA-N
XLogP2.68
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 133472372
1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 53185557
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
1-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 75379024
1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 167806026
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97066119
3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
CID 136534273

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 133493418) is 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one is Cc1cc2c(NC3CCN(C(=O)CCc4ccccc4)C3)nccn2n1.
What is the InChIKey of 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is KIIFVMINWKEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-13-18-20(21-10-12-25(18)23-15)22-17-9-11-24(14-17)19(26)8-7-16-5-3-2-4-6-16/h2-6,10,12-13,17H,7-9,11,14H2,1H3,(H,21,22).
What are the key properties of 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one?
1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 349.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 133493418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).