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

C14H8Cl2F3N5 — CID 66875265

IUPAC4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C14H8Cl2F3N5/c15-8-3-2-7(6-9(8)16)10-11(14(17,18)19)23-24(12(10)20)13-21-4-1-5-22-13/h1-6H,20H2
InChIKeyVXCOIZOWUUQQMK-UHFFFAOYSA-N
MW374.15 g/mol
LogP4.24
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 66875265) has the molecular formula C14H8Cl2F3N5 and a molecular weight of 374.15 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID66875265
Molecular FormulaC14H8Cl2F3N5
Molecular Weight374.15 g/mol
Exact Mass373.01
IUPAC Name4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C14H8Cl2F3N5/c15-8-3-2-7(6-9(8)16)10-11(14(17,18)19)23-24(12(10)20)13-21-4-1-5-22-13/h1-6H,20H2
InChIKeyVXCOIZOWUUQQMK-UHFFFAOYSA-N
XLogP4.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 66875265) is 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Nc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1ncccn1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is VXCOIZOWUUQQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3N5/c15-8-3-2-7(6-9(8)16)10-11(14(17,18)19)23-24(12(10)20)13-21-4-1-5-22-13/h1-6H,20H2.
What are the key properties of 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 374.15 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 66875265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).