3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H11Cl2F3N4O — CID 3133968

IUPAC3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nn2c(c1Cl)NC(c1ccc(Cl)cc1)CC2C(F)(F)F
InChIInChI=1S/C14H11Cl2F3N4O/c15-7-3-1-6(2-4-7)8-5-9(14(17,18)19)23-13(21-8)10(16)11(22-23)12(20)24/h1-4,8-9,21H,5H2,(H2,20,24)
InChIKeyWYWONTXHDDXWCE-UHFFFAOYSA-N
MW379.17 g/mol
LogP3.95
Rot. Bonds2

About 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3133968) has the molecular formula C14H11Cl2F3N4O and a molecular weight of 379.17 g/mol. Its IUPAC name is 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3133968
Molecular FormulaC14H11Cl2F3N4O
Molecular Weight379.17 g/mol
Exact Mass378.03
IUPAC Name3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nn2c(c1Cl)NC(c1ccc(Cl)cc1)CC2C(F)(F)F
InChIInChI=1S/C14H11Cl2F3N4O/c15-7-3-1-6(2-4-7)8-5-9(14(17,18)19)23-13(21-8)10(16)11(22-23)12(20)24/h1-4,8-9,21H,5H2,(H2,20,24)
InChIKeyWYWONTXHDDXWCE-UHFFFAOYSA-N
XLogP3.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3133968) is 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)c1nn2c(c1Cl)NC(c1ccc(Cl)cc1)CC2C(F)(F)F.
What is the InChIKey of 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WYWONTXHDDXWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N4O/c15-7-3-1-6(2-4-7)8-5-9(14(17,18)19)23-13(21-8)10(16)11(22-23)12(20)24/h1-4,8-9,21H,5H2,(H2,20,24).
What are the key properties of 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 379.17 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3133968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).