1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone

C10H15N5O — CID 154779835

IUPAC1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone
SMILESCCn1ccc(CC(=O)N2CC=C(N)N2)n1
InChIInChI=1S/C10H15N5O/c1-2-14-5-3-8(12-14)7-10(16)15-6-4-9(11)13-15/h3-5,13H,2,6-7,11H2,1H3
InChIKeyCBGGUNJIOJCPBI-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.41
Rot. Bonds3

About 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone

1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone (PubChem CID 154779835) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone
PubChem CID154779835
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone
SMILESCCn1ccc(CC(=O)N2CC=C(N)N2)n1
InChIInChI=1S/C10H15N5O/c1-2-14-5-3-8(12-14)7-10(16)15-6-4-9(11)13-15/h3-5,13H,2,6-7,11H2,1H3
InChIKeyCBGGUNJIOJCPBI-UHFFFAOYSA-N
XLogP-0.41
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrazol-3-yl)acetamide
CID 130626486
1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
CID 136549864
3-(1-ethylpyrazol-3-yl)propanoic acid;methanamine
CID 144584790
1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-ethylpyrazol-3-yl)ethanone
CID 146141517
2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 136549871
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 131892234
2-[[(1-ethylpyrazol-3-yl)methylamino]methyl]benzoic acid;hydrochloride
CID 126966178
3-(3-ethylpyrazol-1-yl)propanamide
CID 142785643
(E)-3-(2-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]prop-2-enamide
CID 19331002
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
CID 4865656

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone (CID 154779835) is 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone is CCn1ccc(CC(=O)N2CC=C(N)N2)n1.
What is the InChIKey of 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone?
The InChIKey is CBGGUNJIOJCPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-14-5-3-8(12-14)7-10(16)15-6-4-9(11)13-15/h3-5,13H,2,6-7,11H2,1H3.
What are the key properties of 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone?
1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone has a molecular weight of 221.26 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-dihydropyrazol-2-yl)-2-(1-ethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 154779835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).