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

C14H11ClFN3S — CID 79803180

IUPAC4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
SMILESCc1cscc1-c1[nH]nc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFN3S/c1-7-5-20-6-10(7)13-12(14(17)19-18-13)9-3-2-8(16)4-11(9)15/h2-6H,1H3,(H3,17,18,19)
InChIKeyFVKFNBHPNMDEHT-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.49
Rot. Bonds2

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

4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine (PubChem CID 79803180) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
PubChem CID79803180
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
SMILESCc1cscc1-c1[nH]nc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFN3S/c1-7-5-20-6-10(7)13-12(14(17)19-18-13)9-3-2-8(16)4-11(9)15/h2-6H,1H3,(H3,17,18,19)
InChIKeyFVKFNBHPNMDEHT-UHFFFAOYSA-N
XLogP4.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79803023
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 63036359
5-(3-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798819
4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79802922
5-(2,5-dichlorothiophen-3-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 107962721
5-(5-fluoro-2-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524488
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(2,4-difluorophenyl)-5-(4,5-dimethylthiophen-2-yl)-1H-pyrazol-3-amine
CID 65238813
5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64558550
4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 63525734
4-(2,4-dichlorophenyl)-5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine
CID 106753135
5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 106861439

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine (CID 79803180) is 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine is Cc1cscc1-c1[nH]nc(N)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
The InChIKey is FVKFNBHPNMDEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-7-5-20-6-10(7)13-12(14(17)19-18-13)9-3-2-8(16)4-11(9)15/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine?
4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine has a molecular weight of 307.78 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79803180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).