(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C14H22N4O — CID 83217635

IUPAC(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H22N4O/c1-3-10-7-4-8(2)18(10)14(19)13-11(15)12(16-17-13)9-5-6-9/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyBBGOLKHKRNJHDF-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.27
Rot. Bonds3

About (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83217635) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83217635
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H22N4O/c1-3-10-7-4-8(2)18(10)14(19)13-11(15)12(16-17-13)9-5-6-9/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyBBGOLKHKRNJHDF-UHFFFAOYSA-N
XLogP2.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83217635) is (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is BBGOLKHKRNJHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-10-7-4-8(2)18(10)14(19)13-11(15)12(16-17-13)9-5-6-9/h8-10H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83217635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).