ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate

C14H17N3O2 — CID 137422329

IUPACethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)n(C(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)12-9-13(17(16-12)10(2)3)11-5-7-15-8-6-11/h5-10H,4H2,1-3H3
InChIKeyWIPMBEFRLJHLTB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.70
Rot. Bonds4

About ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate

ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate (PubChem CID 137422329) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate
PubChem CID137422329
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)n(C(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)12-9-13(17(16-12)10(2)3)11-5-7-15-8-6-11/h5-10H,4H2,1-3H3
InChIKeyWIPMBEFRLJHLTB-UHFFFAOYSA-N
XLogP2.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
ethyl 6-pyridin-4-ylpyrimidine-4-carboxylate
CID 122239334
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
ethyl 5-(4-bromophenyl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143530
ethyl 1-phenacyl-5-phenylpyrazole-3-carboxylate
CID 50905140
ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate
CID 135536636
dibenzyl 1-propan-2-ylpyrazole-3,5-dicarboxylate
CID 146247812
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
ethyl 5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872783
ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200564
ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 22831913

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate (CID 137422329) is ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccncc2)n(C(C)C)n1.
What is the InChIKey of ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate?
The InChIKey is WIPMBEFRLJHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-14(18)12-9-13(17(16-12)10(2)3)11-5-7-15-8-6-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate?
ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-yl-5-pyridin-4-ylpyrazole-3-carboxylate is sourced from PubChem (CID 137422329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).