4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine

C14H11ClFN3OS — CID 81122411

IUPAC4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccsc1-c1[nH]nc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFN3OS/c1-20-9-5-6-21-13(9)12-11(14(17)19-18-12)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyCBQJUICMPRIKLB-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.19
Rot. Bonds3

About 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine

4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 81122411) has the molecular formula C14H11ClFN3OS and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID81122411
Molecular FormulaC14H11ClFN3OS
Molecular Weight323.78 g/mol
Exact Mass323.03
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccsc1-c1[nH]nc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFN3OS/c1-20-9-5-6-21-13(9)12-11(14(17)19-18-12)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H3,17,18,19)
InChIKeyCBQJUICMPRIKLB-UHFFFAOYSA-N
XLogP4.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine (CID 81122411) is 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine is COc1ccsc1-c1[nH]nc(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is CBQJUICMPRIKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3OS/c1-20-9-5-6-21-13(9)12-11(14(17)19-18-12)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 323.78 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81122411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).