ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate

C9H15N3O2 — CID 82670434

IUPACethyl 5-(propylamino)-1H-pyrazole-4-carboxylate
SMILESCCCNc1[nH]ncc1C(=O)OCC
InChIInChI=1S/C9H15N3O2/c1-3-5-10-8-7(6-11-12-8)9(13)14-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyHDWHVHOAFKWNGM-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.41
Rot. Bonds5

About ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate

ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate (PubChem CID 82670434) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(propylamino)-1H-pyrazole-4-carboxylate
PubChem CID82670434
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 5-(propylamino)-1H-pyrazole-4-carboxylate
SMILESCCCNc1[nH]ncc1C(=O)OCC
InChIInChI=1S/C9H15N3O2/c1-3-5-10-8-7(6-11-12-8)9(13)14-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyHDWHVHOAFKWNGM-UHFFFAOYSA-N
XLogP1.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate (CID 82670434) is ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate is CCCNc1[nH]ncc1C(=O)OCC.
What is the InChIKey of ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is HDWHVHOAFKWNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-5-10-8-7(6-11-12-8)9(13)14-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate?
ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(propylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 82670434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).