4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine

C9H7ClFN3 — CID 82803223

IUPAC4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(Cl)c1F
InChIInChI=1S/C9H7ClFN3/c10-7-3-1-2-5(8(7)11)6-4-13-14-9(6)12/h1-4H,(H3,12,13,14)
InChIKeyZWTRFMCVYYHUJR-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.45
Rot. Bonds1

About 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine

4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 82803223) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID82803223
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(Cl)c1F
InChIInChI=1S/C9H7ClFN3/c10-7-3-1-2-5(8(7)11)6-4-13-14-9(6)12/h1-4H,(H3,12,13,14)
InChIKeyZWTRFMCVYYHUJR-UHFFFAOYSA-N
XLogP2.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-1H-pyrazol-5-amine
CID 79703
4-(4-Chlorophenyl)-1H-pyrazol-3-amine
CID 218417
4-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 201772
4-(4-chlorophenyl)-1H-pyrazole
CID 4425519
Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-p-tolyl)-
CID 201775
Pyrazole, 3-amino-4-(p-fluorophenyl)-, hydrochloride
CID 201771
Pyrazole, 3-amino-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
CID 202257
Pyrazole, 3-amino-4-(3-chloro-o-tolyl)-, hydrochloride
CID 24844191
Pyrazole, 3-amino-4-(3,4-dichlorophenyl)-
CID 24844193
4-P-Tolyl-1H-Pyrazol-3-Amine
CID 4737234
4-(3-chlorophenyl)-1H-pyrazol-5-amine
CID 10442605
4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 20110132

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine (CID 82803223) is 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is ZWTRFMCVYYHUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-7-3-1-2-5(8(7)11)6-4-13-14-9(6)12/h1-4H,(H3,12,13,14).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 211.63 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 82803223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).