ethyl 1-propylpyrazole-4-carboximidate

C9H15N3O — CID 103572756

IUPACethyl 1-propylpyrazole-4-carboximidate
SMILES[H]/N=C(\OCC)c1cnn(CCC)c1
InChIInChI=1S/C9H15N3O/c1-3-5-12-7-8(6-11-12)9(10)13-4-2/h6-7,10H,3-5H2,1-2H3/b10-9-
InChIKeyOVLCKBZGXWPKMW-KTKRTIGZSA-N
MW181.24 g/mol
LogP1.65
Rot. Bonds4

About ethyl 1-propylpyrazole-4-carboximidate

ethyl 1-propylpyrazole-4-carboximidate (PubChem CID 103572756) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is ethyl 1-propylpyrazole-4-carboximidate.

Molecular Properties

Compound Nameethyl 1-propylpyrazole-4-carboximidate
PubChem CID103572756
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Nameethyl 1-propylpyrazole-4-carboximidate
SMILES[H]/N=C(\OCC)c1cnn(CCC)c1
InChIInChI=1S/C9H15N3O/c1-3-5-12-7-8(6-11-12)9(10)13-4-2/h6-7,10H,3-5H2,1-2H3/b10-9-
InChIKeyOVLCKBZGXWPKMW-KTKRTIGZSA-N
XLogP1.65
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-oxo-4-(1-propylpyrazol-4-yl)butanoate
CID 103572842
ethyl 1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 71756324
1-(3-iminohexyl)pyrazol-4-amine
CID 174655950
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone
CID 116750961
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
CID 105082191
2-amino-3,3,3-trifluoro-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 116592872
2-(dimethylamino)-2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79060967
ethyl 1H-pyrrole-3-carboximidate
CID 136970008
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
ethyl 2-ethylpyrazole-3-carboximidate
CID 114557122

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propylpyrazole-4-carboximidate?
The IUPAC name of ethyl 1-propylpyrazole-4-carboximidate (CID 103572756) is ethyl 1-propylpyrazole-4-carboximidate.
What is the SMILES notation for ethyl 1-propylpyrazole-4-carboximidate?
The canonical SMILES for ethyl 1-propylpyrazole-4-carboximidate is [H]/N=C(\OCC)c1cnn(CCC)c1.
What is the InChIKey of ethyl 1-propylpyrazole-4-carboximidate?
The InChIKey is OVLCKBZGXWPKMW-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-5-12-7-8(6-11-12)9(10)13-4-2/h6-7,10H,3-5H2,1-2H3/b10-9-.
What are the key properties of ethyl 1-propylpyrazole-4-carboximidate?
ethyl 1-propylpyrazole-4-carboximidate has a molecular weight of 181.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propylpyrazole-4-carboximidate is sourced from PubChem (CID 103572756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).