3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H18ClF3N4O3 — CID 1038216

IUPAC3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)c(Cl)c3n2)cc1OC
InChIInChI=1S/C19H18ClF3N4O3/c1-9(2)24-18(28)16-15(20)17-25-11(8-14(19(21,22)23)27(17)26-16)10-5-6-12(29-3)13(7-10)30-4/h5-9H,1-4H3,(H,24,28)
InChIKeyWQEZRSKSBCQSPL-UHFFFAOYSA-N
MW442.83 g/mol
LogP4.22
Rot. Bonds5

About 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1038216) has the molecular formula C19H18ClF3N4O3 and a molecular weight of 442.83 g/mol. Its IUPAC name is 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1038216
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.83 g/mol
Exact Mass442.10
IUPAC Name3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)c(Cl)c3n2)cc1OC
InChIInChI=1S/C19H18ClF3N4O3/c1-9(2)24-18(28)16-15(20)17-25-11(8-14(19(21,22)23)27(17)26-16)10-5-6-12(29-3)13(7-10)30-4/h5-9H,1-4H3,(H,24,28)
InChIKeyWQEZRSKSBCQSPL-UHFFFAOYSA-N
XLogP4.22
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1038216) is 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)c(Cl)c3n2)cc1OC.
What is the InChIKey of 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WQEZRSKSBCQSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3/c1-9(2)24-18(28)16-15(20)17-25-11(8-14(19(21,22)23)27(17)26-16)10-5-6-12(29-3)13(7-10)30-4/h5-9H,1-4H3,(H,24,28).
What are the key properties of 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 442.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4-dimethoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1038216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).