(3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

C13H22N4O — CID 70750261

IUPAC(3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(N)C1
InChIInChI=1S/C13H22N4O/c1-4-17-12(7-11(15-17)9(2)3)13(18)16-6-5-10(14)8-16/h7,9-10H,4-6,8,14H2,1-3H3
InChIKeyQRKSTZRBOUOCOG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

(3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 70750261) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID70750261
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(N)C1
InChIInChI=1S/C13H22N4O/c1-4-17-12(7-11(15-17)9(2)3)13(18)16-6-5-10(14)8-16/h7,9-10H,4-6,8,14H2,1-3H3
InChIKeyQRKSTZRBOUOCOG-UHFFFAOYSA-N
XLogP1.20
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 70750261) is (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC(N)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is QRKSTZRBOUOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-12(7-11(15-17)9(2)3)13(18)16-6-5-10(14)8-16/h7,9-10H,4-6,8,14H2,1-3H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
(3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 70750261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).