ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate

C11H11ClN4O2 — CID 58591624

IUPACethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N)nn1-c1ncccc1Cl
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-9(13)15-16(8)10-7(12)4-3-5-14-10/h3-6H,2H2,1H3,(H2,13,15)
InChIKeyNYBLAKSBDNAUDZ-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.68
Rot. Bonds3

About ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate

ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 58591624) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID58591624
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Nameethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N)nn1-c1ncccc1Cl
InChIInChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-9(13)15-16(8)10-7(12)4-3-5-14-10/h3-6H,2H2,1H3,(H2,13,15)
InChIKeyNYBLAKSBDNAUDZ-UHFFFAOYSA-N
XLogP1.68
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3-chloro-2-pyridinyl)-3-propylpyrazole-5-carboxylate
CID 70831964
pentyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 59549392
ethyl 3-bromo-1-(3-chloro-2-pyridinyl)-5-methylpyrazole-4-carboxylate
CID 155213094
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575
1-(3-chloro-2-pyridinyl)-3-ethoxypyrazole-5-carboxylic acid
CID 90391350
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737
1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]ethanone
CID 141002934
[3-amino-1-(3-chloro-2-pyridinyl)pyrazol-5-yl] formate
CID 174584582
3-(2-bromoethoxy)-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl chloride
CID 141357210
ethyl 5-[[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 50907334
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
ethyl (Z)-3-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-2-chloroprop-2-enoate
CID 175484507

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate (CID 58591624) is ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(N)nn1-c1ncccc1Cl.
What is the InChIKey of ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is NYBLAKSBDNAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-18-11(17)8-6-9(13)15-16(8)10-7(12)4-3-5-14-10/h3-6H,2H2,1H3,(H2,13,15).
What are the key properties of ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 266.69 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 58591624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).