3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide

C7H10ClN3O — CID 170256746

IUPAC3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC)c(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-3-11-4-5(6(8)10-11)7(12)9-2/h4H,3H2,1-2H3,(H,9,12)
InChIKeyGVGHMBRFWSJVBA-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.92
Rot. Bonds2

About 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide

3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide (PubChem CID 170256746) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide
PubChem CID170256746
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC)c(Cl)n1
InChIInChI=1S/C7H10ClN3O/c1-3-11-4-5(6(8)10-11)7(12)9-2/h4H,3H2,1-2H3,(H,9,12)
InChIKeyGVGHMBRFWSJVBA-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 170255025
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
N-(5-chloropyrazin-2-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 167751137
methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680574
1-(1-ethyl-3-iodopyrazol-4-yl)propan-1-one
CID 174646384
3-acetyl-1-ethylpyrazole-4-carboxylic acid
CID 82407978
3-chloro-1-ethyl-4-propan-2-ylpyrazole
CID 123789660
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide?
The IUPAC name of 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide (CID 170256746) is 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide is CCn1cc(C(=O)NC)c(Cl)n1.
What is the InChIKey of 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide?
The InChIKey is GVGHMBRFWSJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-3-11-4-5(6(8)10-11)7(12)9-2/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide?
3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide has a molecular weight of 187.63 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 170256746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).