3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine

C14H11ClFN3S — CID 83223172

IUPAC3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2cccc(F)c2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFN3S/c15-13-5-4-12(20-13)14-11(17)8-19(18-14)7-9-2-1-3-10(16)6-9/h1-6,8H,7,17H2
InChIKeyWPRSCOUWCCHCLB-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.03
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine

3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine (PubChem CID 83223172) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine
PubChem CID83223172
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2cccc(F)c2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFN3S/c15-13-5-4-12(20-13)14-11(17)8-19(18-14)7-9-2-1-3-10(16)6-9/h1-6,8H,7,17H2
InChIKeyWPRSCOUWCCHCLB-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine
CID 83222946
1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222416
3-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)pyrazol-4-amine
CID 83222348
1-[(4-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223015
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
CID 17433375
3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83204238
1-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222665
3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83204745
1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 63278513
5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 115114391
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19401233
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine (CID 83223172) is 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine is Nc1cn(Cc2cccc(F)c2)nc1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is WPRSCOUWCCHCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c15-13-5-4-12(20-13)14-11(17)8-19(18-14)7-9-2-1-3-10(16)6-9/h1-6,8H,7,17H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine?
3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine has a molecular weight of 307.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83223172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).