(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone

C11H18N4O — CID 65357847

IUPAC(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CCCC2C)n1
InChIInChI=1S/C11H18N4O/c1-3-14-7-9(12)10(13-14)11(16)15-6-4-5-8(15)2/h7-8H,3-6,12H2,1-2H3
InChIKeyZNABWRMWURXNSL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds2

About (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone

(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 65357847) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID65357847
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CCCC2C)n1
InChIInChI=1S/C11H18N4O/c1-3-14-7-9(12)10(13-14)11(16)15-6-4-5-8(15)2/h7-8H,3-6,12H2,1-2H3
InChIKeyZNABWRMWURXNSL-UHFFFAOYSA-N
XLogP1.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone (CID 65357847) is (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone is CCn1cc(N)c(C(=O)N2CCCC2C)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is ZNABWRMWURXNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-14-7-9(12)10(13-14)11(16)15-6-4-5-8(15)2/h7-8H,3-6,12H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 65357847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).