2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide

C12H14N4S — CID 121211988

IUPAC2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C12H14N4S/c13-12(14)6-16-11(8-1-2-8)5-10(15-16)9-3-4-17-7-9/h3-5,7-8H,1-2,6H2,(H3,13,14)
InChIKeyZLBFFWFAPLPGGF-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.42
Rot. Bonds4

About 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide

2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide (PubChem CID 121211988) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide
PubChem CID121211988
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C12H14N4S/c13-12(14)6-16-11(8-1-2-8)5-10(15-16)9-3-4-17-7-9/h3-5,7-8H,1-2,6H2,(H3,13,14)
InChIKeyZLBFFWFAPLPGGF-UHFFFAOYSA-N
XLogP2.42
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
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

5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 91629207
5-cyclopropyl-1-[3-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-3-thiophen-3-ylpyrazole
CID 171111552
1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214182
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 86266307
1-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 86266319
methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboximidate
CID 121211220
2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide
CID 121213824
N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879294
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121211968
1-(2-methylpropyl)-3-thiophen-3-ylpyrazol-5-amine
CID 121214181
methyl 1-methyl-3-thiophen-3-ylpyrazole-5-carboximidate
CID 121211217
2-(5-ethyl-3-thiophen-3-ylpyrazol-1-yl)ethanamine
CID 121211971

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide?
The IUPAC name of 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide (CID 121211988) is 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide.
What is the SMILES notation for 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide?
The canonical SMILES for 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide is [H]/N=C(\N)Cn1nc(-c2ccsc2)cc1C1CC1.
What is the InChIKey of 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide?
The InChIKey is ZLBFFWFAPLPGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-12(14)6-16-11(8-1-2-8)5-10(15-16)9-3-4-17-7-9/h3-5,7-8H,1-2,6H2,(H3,13,14).
What are the key properties of 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide?
2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide has a molecular weight of 246.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethanimidamide is sourced from PubChem (CID 121211988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).