pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate

C9H8N4O2 — CID 117215308

IUPACpyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
SMILESNc1cc(C(=O)Oc2cccnc2)[nH]n1
InChIInChI=1S/C9H8N4O2/c10-8-4-7(12-13-8)9(14)15-6-2-1-3-11-5-6/h1-5H,(H3,10,12,13)
InChIKeyGEHYQTIVXRWTGJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.61
Rot. Bonds2

About pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate

pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate (PubChem CID 117215308) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
PubChem CID117215308
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Namepyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
SMILESNc1cc(C(=O)Oc2cccnc2)[nH]n1
InChIInChI=1S/C9H8N4O2/c10-8-4-7(12-13-8)9(14)15-6-2-1-3-11-5-6/h1-5H,(H3,10,12,13)
InChIKeyGEHYQTIVXRWTGJ-UHFFFAOYSA-N
XLogP0.61
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
1-phenylethyl 3-amino-1H-pyrazole-5-carboxylate
CID 64526035
5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride
CID 47002499
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
(3-chlorophenyl)methyl 3-amino-1H-pyrazole-5-carboxylate
CID 65127067
2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid
CID 117213051
3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
CID 117215056
butane;pyridin-3-yl carbamate
CID 69137647
pyridin-3-yl 5-bromofuran-2-carboxylate
CID 5244119
pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 164704440
3-methylbutyl 3-amino-1H-pyrazole-5-carboxylate
CID 64526036
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate?
The IUPAC name of pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate (CID 117215308) is pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate.
What is the SMILES notation for pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate?
The canonical SMILES for pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate is Nc1cc(C(=O)Oc2cccnc2)[nH]n1.
What is the InChIKey of pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate?
The InChIKey is GEHYQTIVXRWTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-8-4-7(12-13-8)9(14)15-6-2-1-3-11-5-6/h1-5H,(H3,10,12,13).
What are the key properties of pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate?
pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 117215308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).