(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone

C11H18N4O — CID 66125351

IUPAC(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCC(C)C2)c1N
InChIInChI=1S/C11H18N4O/c1-7-4-5-15(6-7)11(16)10-9(12)8(2)13-14(10)3/h7H,4-6,12H2,1-3H3
InChIKeyXMMZQWRNKHUOBH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds1

About (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone

(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 66125351) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID66125351
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCC(C)C2)c1N
InChIInChI=1S/C11H18N4O/c1-7-4-5-15(6-7)11(16)10-9(12)8(2)13-14(10)3/h7H,4-6,12H2,1-3H3
InChIKeyXMMZQWRNKHUOBH-UHFFFAOYSA-N
XLogP0.79
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1,3-dimethylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 66125758
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79189036
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66122825
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763
(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 66122826
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone
CID 66125350
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 66123272
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
CID 66123250
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66123826
1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 66123407
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 82746672
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylmorpholin-4-yl)methanone
CID 66122598

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 66125351) is (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone is Cc1nn(C)c(C(=O)N2CCC(C)C2)c1N.
What is the InChIKey of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is XMMZQWRNKHUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-4-5-15(6-7)11(16)10-9(12)8(2)13-14(10)3/h7H,4-6,12H2,1-3H3.
What are the key properties of (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone?
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66125351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).