4-chloro-1-propan-2-ylpyrazole-3-carboxamide

C7H10ClN3O — CID 90104430

IUPAC4-chloro-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1cc(Cl)c(C(N)=O)n1
InChIInChI=1S/C7H10ClN3O/c1-4(2)11-3-5(8)6(10-11)7(9)12/h3-4H,1-2H3,(H2,9,12)
InChIKeyFXUGJAZVSOTGRA-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.22
Rot. Bonds2

About 4-chloro-1-propan-2-ylpyrazole-3-carboxamide

4-chloro-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 90104430) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID90104430
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1cc(Cl)c(C(N)=O)n1
InChIInChI=1S/C7H10ClN3O/c1-4(2)11-3-5(8)6(10-11)7(9)12/h3-4H,1-2H3,(H2,9,12)
InChIKeyFXUGJAZVSOTGRA-UHFFFAOYSA-N
XLogP1.22
TPSA60.91 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-propan-2-ylpyrazole-3-carboxamide (CID 90104430) is 4-chloro-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1cc(Cl)c(C(N)=O)n1.
What is the InChIKey of 4-chloro-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FXUGJAZVSOTGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4(2)11-3-5(8)6(10-11)7(9)12/h3-4H,1-2H3,(H2,9,12).
What are the key properties of 4-chloro-1-propan-2-ylpyrazole-3-carboxamide?
4-chloro-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 187.63 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 90104430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).