ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate

C9H16N2O2 — CID 123425564

IUPACethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCCN1CCC(C(=O)OCC)=N1
InChIInChI=1S/C9H16N2O2/c1-3-6-11-7-5-8(10-11)9(12)13-4-2/h3-7H2,1-2H3
InChIKeyANAGKBYGTPCKFW-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate

ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 123425564) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID123425564
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCCN1CCC(C(=O)OCC)=N1
InChIInChI=1S/C9H16N2O2/c1-3-6-11-7-5-8(10-11)9(12)13-4-2/h3-7H2,1-2H3
InChIKeyANAGKBYGTPCKFW-UHFFFAOYSA-N
XLogP1.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-ethyl-3-methyl-3,4-dihydropyrazole-5-carboxylate
CID 20662589
Ethyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 140972568
Methyl 2-methyl-3,4-dihydropyrazole-5-carboxylate
CID 141166031
Ethyl 4-(3,4-dihydropyrazol-2-yl)butanoate
CID 163607107
ethyl (2E)-2-[butyl(methyl)hydrazinylidene]propanoate
CID 44196568
ethyl (2E)-2-pyrrolidin-1-yliminopropanoate
CID 44196628
ethyl 1-ethyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 54594208
Ethyl 5-oxo-1-pentyl-4,5-dihydro-1h-pyrazole-3-carboxylate
CID 85583326
Methyl 2,4-dimethyl-3,4-dihydropyrazole-5-carboxylate
CID 129917143
[(3Z)-4-ethoxy-3-oxidoimino-4-oxobutyl]-diethyl-methylazanium
CID 131665718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate (CID 123425564) is ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate is CCCN1CCC(C(=O)OCC)=N1.
What is the InChIKey of ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is ANAGKBYGTPCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-6-11-7-5-8(10-11)9(12)13-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 123425564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).