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

C16H13ClFN3 — CID 81266285

IUPAC5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cccc(Cl)c1F
InChIInChI=1S/C16H13ClFN3/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyCDNDYEQRUCKEEU-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.43
Rot. Bonds2

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

5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 81266285) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID81266285
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cccc(Cl)c1F
InChIInChI=1S/C16H13ClFN3/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyCDNDYEQRUCKEEU-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (CID 81266285) is 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is Cc1ccccc1-c1c(N)n[nH]c1-c1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is CDNDYEQRUCKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9-5-2-3-6-10(9)13-15(20-21-16(13)19)11-7-4-8-12(17)14(11)18/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 301.75 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81266285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).