(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone

C13H22N4O — CID 62082506

IUPAC(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCCCCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-2-10-11(14)12(16-15-10)13(18)17-8-6-4-3-5-7-9-17/h2-9,14H2,1H3,(H,15,16)
InChIKeyRCQMDTYASRUMEV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.96
Rot. Bonds2

About (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone (PubChem CID 62082506) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
PubChem CID62082506
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCCCCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-2-10-11(14)12(16-15-10)13(18)17-8-6-4-3-5-7-9-17/h2-9,14H2,1H3,(H,15,16)
InChIKeyRCQMDTYASRUMEV-UHFFFAOYSA-N
XLogP1.96
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
CID 62080955
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 62081826
1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216391
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677537

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone?
The IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone (CID 62082506) is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone.
What is the SMILES notation for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone?
The canonical SMILES for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone is CCc1[nH]nc(C(=O)N2CCCCCCC2)c1N.
What is the InChIKey of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone?
The InChIKey is RCQMDTYASRUMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-10-11(14)12(16-15-10)13(18)17-8-6-4-3-5-7-9-17/h2-9,14H2,1H3,(H,15,16).
What are the key properties of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone?
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone is sourced from PubChem (CID 62082506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).