[3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate

C9H7ClN4O2 — CID 174584582

IUPAC[3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate
SMILESNc1cc(OC=O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C9H7ClN4O2/c10-6-2-1-3-12-9(6)14-8(16-5-15)4-7(11)13-14/h1-5H,(H2,11,13)
InChIKeyZJFJATDPLXQQLI-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.04
Rot. Bonds3

About [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate

[3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate (PubChem CID 174584582) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate.

Molecular Properties

Compound Name[3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate
PubChem CID174584582
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name[3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate
SMILESNc1cc(OC=O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C9H7ClN4O2/c10-6-2-1-3-12-9(6)14-8(16-5-15)4-7(11)13-14/h1-5H,(H2,11,13)
InChIKeyZJFJATDPLXQQLI-UHFFFAOYSA-N
XLogP1.04
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate
CID 91528453
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 58591624
1-(3-chloro-2-pyridinyl)-3-formylpyrazole-5-carboxylic acid
CID 118413128
1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]ethanone
CID 141002934
N,N'-diamino-N-[[1-(3-chloro-2-pyridinyl)-5-formylpyrazol-3-yl]methyl]-2,2,2-trifluoroethanimidamide
CID 153366826
2-(3-bromo-5-ethylpyrazol-1-yl)-3-chloropyridine
CID 143762317
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
1-(3-chloro-2-pyridinyl)-3-ethoxypyrazole-5-carboxylic acid
CID 90391350
ethyl 1-(3-chloro-2-pyridinyl)-3-propylpyrazole-5-carboxylate
CID 70831964
ethyl (Z)-3-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-2-chloroprop-2-enoate
CID 175484507
[1-(3-chloro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]boronic acid
CID 75485989
2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
CID 155042082

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate?
The IUPAC name of [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate (CID 174584582) is [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate.
What is the SMILES notation for [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate?
The canonical SMILES for [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate is Nc1cc(OC=O)n(-c2ncccc2Cl)n1.
What is the InChIKey of [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate?
The InChIKey is ZJFJATDPLXQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-6-2-1-3-12-9(6)14-8(16-5-15)4-7(11)13-14/h1-5H,(H2,11,13).
What are the key properties of [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate?
[3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate has a molecular weight of 238.63 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate is sourced from PubChem (CID 174584582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).