(3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C14H24N4O — CID 72877904

IUPAC(3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(N)C1
InChIInChI=1S/C14H24N4O/c1-4-18-13(8-12(16-18)7-10(2)3)14(19)17-6-5-11(15)9-17/h8,10-11H,4-7,9,15H2,1-3H3
InChIKeyAAEMAQBPCTZYPA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.27
Rot. Bonds4

About (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

(3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 72877904) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID72877904
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(N)C1
InChIInChI=1S/C14H24N4O/c1-4-18-13(8-12(16-18)7-10(2)3)14(19)17-6-5-11(15)9-17/h8,10-11H,4-7,9,15H2,1-3H3
InChIKeyAAEMAQBPCTZYPA-UHFFFAOYSA-N
XLogP1.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.27
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-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 72877904) is (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCC(N)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is AAEMAQBPCTZYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-18-13(8-12(16-18)7-10(2)3)14(19)17-6-5-11(15)9-17/h8,10-11H,4-7,9,15H2,1-3H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
(3-aminopyrrolidin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 264.37 g/mol, XLogP of 1.27, 4 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-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 72877904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).