4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C12H6Cl2F3N5S — CID 171789232

IUPAC4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2cc(Cl)sc2Cl)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C12H6Cl2F3N5S/c13-6-4-5(9(14)23-6)7-8(12(15,16)17)21-22(10(7)18)11-19-2-1-3-20-11/h1-4H,18H2
InChIKeySGVCREKUEDRTAA-UHFFFAOYSA-N
MW380.18 g/mol
LogP4.30
Rot. Bonds2

About 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789232) has the molecular formula C12H6Cl2F3N5S and a molecular weight of 380.18 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789232
Molecular FormulaC12H6Cl2F3N5S
Molecular Weight380.18 g/mol
Exact Mass378.97
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2cc(Cl)sc2Cl)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C12H6Cl2F3N5S/c13-6-4-5(9(14)23-6)7-8(12(15,16)17)21-22(10(7)18)11-19-2-1-3-20-11/h1-4H,18H2
InChIKeySGVCREKUEDRTAA-UHFFFAOYSA-N
XLogP4.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789237
4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789288
4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 24849170
(Z)-3-[3-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]thiophen-2-yl]-1-cyclopropylprop-2-en-1-one
CID 171789272
1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789431
2-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]-4,4-dimethylcyclohex-2-en-1-one
CID 171789319
4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789316
4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789366
4-[3-chloro-5-(trifluoromethyl)phenyl]-N-propan-2-yl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87295556
4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 87179222
methyl 3-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 171789291

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 171789232) is 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Nc1c(-c2cc(Cl)sc2Cl)c(C(F)(F)F)nn1-c1ncccn1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is SGVCREKUEDRTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N5S/c13-6-4-5(9(14)23-6)7-8(12(15,16)17)21-22(10(7)18)11-19-2-1-3-20-11/h1-4H,18H2.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 380.18 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).