3-chloro-4,5-dimethyl-1H-pyrazole

C5H7ClN2 — CID 14849323

IUPAC3-chloro-4,5-dimethyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1C
InChIInChI=1S/C5H7ClN2/c1-3-4(2)7-8-5(3)6/h1-2H3,(H,7,8)
InChIKeyLAZQLGPTPYSRAC-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.68
Rot. Bonds

About 3-chloro-4,5-dimethyl-1H-pyrazole

3-chloro-4,5-dimethyl-1H-pyrazole (PubChem CID 14849323) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-1H-pyrazole
PubChem CID14849323
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name3-chloro-4,5-dimethyl-1H-pyrazole
SMILESCc1[nH]nc(Cl)c1C
InChIInChI=1S/C5H7ClN2/c1-3-4(2)7-8-5(3)6/h1-2H3,(H,7,8)
InChIKeyLAZQLGPTPYSRAC-UHFFFAOYSA-N
XLogP1.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-1H-pyrazole?
The IUPAC name of 3-chloro-4,5-dimethyl-1H-pyrazole (CID 14849323) is 3-chloro-4,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 3-chloro-4,5-dimethyl-1H-pyrazole?
The canonical SMILES for 3-chloro-4,5-dimethyl-1H-pyrazole is Cc1[nH]nc(Cl)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-1H-pyrazole?
The InChIKey is LAZQLGPTPYSRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-3-4(2)7-8-5(3)6/h1-2H3,(H,7,8).
What are the key properties of 3-chloro-4,5-dimethyl-1H-pyrazole?
3-chloro-4,5-dimethyl-1H-pyrazole has a molecular weight of 130.58 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 14849323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).