(4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C15H19N5O — CID 65358418

IUPAC(4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CCCC2c2cccnc2)n1
InChIInChI=1S/C15H19N5O/c1-2-19-10-12(16)14(18-19)15(21)20-8-4-6-13(20)11-5-3-7-17-9-11/h3,5,7,9-10,13H,2,4,6,8,16H2,1H3
InChIKeyDELHOFOVRQALKZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.86
Rot. Bonds3

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

(4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 65358418) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID65358418
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CCCC2c2cccnc2)n1
InChIInChI=1S/C15H19N5O/c1-2-19-10-12(16)14(18-19)15(21)20-8-4-6-13(20)11-5-3-7-17-9-11/h3,5,7,9-10,13H,2,4,6,8,16H2,1H3
InChIKeyDELHOFOVRQALKZ-UHFFFAOYSA-N
XLogP1.86
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65357847
(4-amino-1-ethylpyrazol-3-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65357930
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 66375874
4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 65363090
(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one
CID 95339397

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 65358418) is (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is CCn1cc(N)c(C(=O)N2CCCC2c2cccnc2)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is DELHOFOVRQALKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-19-10-12(16)14(18-19)15(21)20-8-4-6-13(20)11-5-3-7-17-9-11/h3,5,7,9-10,13H,2,4,6,8,16H2,1H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 65358418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).