4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine

C5H6ClF2N3 — CID 151231044

IUPAC4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C(F)F)c(Cl)c1N
InChIInChI=1S/C5H6ClF2N3/c1-11-5(9)2(6)3(10-11)4(7)8/h4H,9H2,1H3
InChIKeyNOHJETOKAFGSFE-UHFFFAOYSA-N
MW181.57 g/mol
LogP1.59
Rot. Bonds1

About 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine

4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine (PubChem CID 151231044) has the molecular formula C5H6ClF2N3 and a molecular weight of 181.57 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine
PubChem CID151231044
Molecular FormulaC5H6ClF2N3
Molecular Weight181.57 g/mol
Exact Mass181.02
IUPAC Name4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C(F)F)c(Cl)c1N
InChIInChI=1S/C5H6ClF2N3/c1-11-5(9)2(6)3(10-11)4(7)8/h4H,9H2,1H3
InChIKeyNOHJETOKAFGSFE-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.57
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine (CID 151231044) is 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine is Cn1nc(C(F)F)c(Cl)c1N.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine?
The InChIKey is NOHJETOKAFGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF2N3/c1-11-5(9)2(6)3(10-11)4(7)8/h4H,9H2,1H3.
What are the key properties of 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine?
4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine has a molecular weight of 181.57 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 151231044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).