2-(4-chloro-5-methylpyrazol-1-yl)propanamide

C7H10ClN3O — CID 25248320

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(N)=O
InChIInChI=1S/C7H10ClN3O/c1-4-6(8)3-10-11(4)5(2)7(9)12/h3,5H,1-2H3,(H2,9,12)
InChIKeyKZUINKGGZWAMML-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.89
Rot. Bonds2

About 2-(4-chloro-5-methylpyrazol-1-yl)propanamide

2-(4-chloro-5-methylpyrazol-1-yl)propanamide (PubChem CID 25248320) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)propanamide
PubChem CID25248320
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(N)=O
InChIInChI=1S/C7H10ClN3O/c1-4-6(8)3-10-11(4)5(2)7(9)12/h3,5H,1-2H3,(H2,9,12)
InChIKeyKZUINKGGZWAMML-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)propanamide (CID 25248320) is 2-(4-chloro-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)propanamide is Cc1c(Cl)cnn1C(C)C(N)=O.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The InChIKey is KZUINKGGZWAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-4-6(8)3-10-11(4)5(2)7(9)12/h3,5H,1-2H3,(H2,9,12).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)propanamide?
2-(4-chloro-5-methylpyrazol-1-yl)propanamide has a molecular weight of 187.63 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 25248320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).