2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid

C9H9ClF2N2O2 — CID 7017083

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C9H9ClF2N2O2/c10-6-7(9(11)12)13-14(3-5(15)16)8(6)4-1-2-4/h4,9H,1-3H2,(H,15,16)
InChIKeyGZJACOLAIQWXKW-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 7017083) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID7017083
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C9H9ClF2N2O2/c10-6-7(9(11)12)13-14(3-5(15)16)8(6)4-1-2-4/h4,9H,1-3H2,(H,15,16)
InChIKeyGZJACOLAIQWXKW-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.44
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-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid (CID 7017083) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1nc(C(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is GZJACOLAIQWXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c10-6-7(9(11)12)13-14(3-5(15)16)8(6)4-1-2-4/h4,9H,1-3H2,(H,15,16).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 250.63 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 7017083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).