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

C17H17Cl2F3N4O — CID 2883863

IUPAC3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1nn2c(c1Cl)NC(c1ccc(Cl)cc1)CC2C(F)(F)F
InChIInChI=1S/C17H17Cl2F3N4O/c1-2-7-23-16(27)14-13(19)15-24-11(9-3-5-10(18)6-4-9)8-12(17(20,21)22)26(15)25-14/h3-6,11-12,24H,2,7-8H2,1H3,(H,23,27)
InChIKeyHKZOOQDBESGNFW-UHFFFAOYSA-N
MW421.25 g/mol
LogP4.99
Rot. Bonds4

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

3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2883863) has the molecular formula C17H17Cl2F3N4O and a molecular weight of 421.25 g/mol. Its IUPAC name is 3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2883863
Molecular FormulaC17H17Cl2F3N4O
Molecular Weight421.25 g/mol
Exact Mass420.07
IUPAC Name3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCNC(=O)c1nn2c(c1Cl)NC(c1ccc(Cl)cc1)CC2C(F)(F)F
InChIInChI=1S/C17H17Cl2F3N4O/c1-2-7-23-16(27)14-13(19)15-24-11(9-3-5-10(18)6-4-9)8-12(17(20,21)22)26(15)25-14/h3-6,11-12,24H,2,7-8H2,1H3,(H,23,27)
InChIKeyHKZOOQDBESGNFW-UHFFFAOYSA-N
XLogP4.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 54.99
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)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2883863) is 3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCNC(=O)c1nn2c(c1Cl)NC(c1ccc(Cl)cc1)CC2C(F)(F)F.
What is the InChIKey of 3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HKZOOQDBESGNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2F3N4O/c1-2-7-23-16(27)14-13(19)15-24-11(9-3-5-10(18)6-4-9)8-12(17(20,21)22)26(15)25-14/h3-6,11-12,24H,2,7-8H2,1H3,(H,23,27).
What are the key properties of 3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 421.25 g/mol, XLogP of 4.99, 4 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)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2883863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).