4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine

C10H8ClF2N3 — CID 117360992

IUPAC4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H8ClF2N3/c11-8-3-5(9(12)13)1-2-6(8)7-4-15-16-10(7)14/h1-4,9H,(H3,14,15,16)
InChIKeyOBEQTIJNFVQHMF-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.25
Rot. Bonds2

About 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine

4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117360992) has the molecular formula C10H8ClF2N3 and a molecular weight of 243.64 g/mol. Its IUPAC name is 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117360992
Molecular FormulaC10H8ClF2N3
Molecular Weight243.64 g/mol
Exact Mass243.04
IUPAC Name4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H8ClF2N3/c11-8-3-5(9(12)13)1-2-6(8)7-4-15-16-10(7)14/h1-4,9H,(H3,14,15,16)
InChIKeyOBEQTIJNFVQHMF-UHFFFAOYSA-N
XLogP3.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine (CID 117360992) is 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(C(F)F)cc1Cl.
What is the InChIKey of 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is OBEQTIJNFVQHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3/c11-8-3-5(9(12)13)1-2-6(8)7-4-15-16-10(7)14/h1-4,9H,(H3,14,15,16).
What are the key properties of 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine?
4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 243.64 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117360992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).