4-chloro-1-ethylpyrazole-5-carboximidamide

C6H9ClN4 — CID 83874157

IUPAC4-chloro-1-ethylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cnn1CC
InChIInChI=1S/C6H9ClN4/c1-2-11-5(6(8)9)4(7)3-10-11/h3H,2H2,1H3,(H3,8,9)
InChIKeyWSDLTFDVQGCLLA-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.84
Rot. Bonds2

About 4-chloro-1-ethylpyrazole-5-carboximidamide

4-chloro-1-ethylpyrazole-5-carboximidamide (PubChem CID 83874157) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazole-5-carboximidamide
PubChem CID83874157
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name4-chloro-1-ethylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cnn1CC
InChIInChI=1S/C6H9ClN4/c1-2-11-5(6(8)9)4(7)3-10-11/h3H,2H2,1H3,(H3,8,9)
InChIKeyWSDLTFDVQGCLLA-UHFFFAOYSA-N
XLogP0.84
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-1-methylpyrazole-5-carboximidamide
CID 83385908
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670411
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
CID 115803895
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
CID 114669423
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670668
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
4-chloro-1-ethyl-5-fluoropyrazole
CID 105429239
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazole-5-carboximidamide?
The IUPAC name of 4-chloro-1-ethylpyrazole-5-carboximidamide (CID 83874157) is 4-chloro-1-ethylpyrazole-5-carboximidamide.
What is the SMILES notation for 4-chloro-1-ethylpyrazole-5-carboximidamide?
The canonical SMILES for 4-chloro-1-ethylpyrazole-5-carboximidamide is [H]/N=C(\N)c1c(Cl)cnn1CC.
What is the InChIKey of 4-chloro-1-ethylpyrazole-5-carboximidamide?
The InChIKey is WSDLTFDVQGCLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-2-11-5(6(8)9)4(7)3-10-11/h3H,2H2,1H3,(H3,8,9).
What are the key properties of 4-chloro-1-ethylpyrazole-5-carboximidamide?
4-chloro-1-ethylpyrazole-5-carboximidamide has a molecular weight of 172.62 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazole-5-carboximidamide is sourced from PubChem (CID 83874157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).