1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone

C10H10N4O — CID 104735973

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone
SMILESNc1[nH]ncc1C(=O)Cc1cccnc1
InChIInChI=1S/C10H10N4O/c11-10-8(6-13-14-10)9(15)4-7-2-1-3-12-5-7/h1-3,5-6H,4H2,(H3,11,13,14)
InChIKeyLWOOZAJOHJVMIG-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.81
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone

1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone (PubChem CID 104735973) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone
PubChem CID104735973
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone
SMILESNc1[nH]ncc1C(=O)Cc1cccnc1
InChIInChI=1S/C10H10N4O/c11-10-8(6-13-14-10)9(15)4-7-2-1-3-12-5-7/h1-3,5-6H,4H2,(H3,11,13,14)
InChIKeyLWOOZAJOHJVMIG-UHFFFAOYSA-N
XLogP0.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65360332
1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
CID 102830690
1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 65360118
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
1-(5-amino-1H-pyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 65360553

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone (CID 104735973) is 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone is Nc1[nH]ncc1C(=O)Cc1cccnc1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone?
The InChIKey is LWOOZAJOHJVMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10-8(6-13-14-10)9(15)4-7-2-1-3-12-5-7/h1-3,5-6H,4H2,(H3,11,13,14).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone?
1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone has a molecular weight of 202.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 104735973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).