N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19F3N4O2 — CID 1012882

IUPACN-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC4CCCC4)c3n2)c1
InChIInChI=1S/C20H19F3N4O2/c1-29-14-8-4-5-12(9-14)16-10-17(20(21,22)23)27-18(26-16)15(11-24-27)19(28)25-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,25,28)
InChIKeyCLNQYPVLUMBWEE-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.10
Rot. Bonds4

About N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1012882) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1012882
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC4CCCC4)c3n2)c1
InChIInChI=1S/C20H19F3N4O2/c1-29-14-8-4-5-12(9-14)16-10-17(20(21,22)23)27-18(26-16)15(11-24-27)19(28)25-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,25,28)
InChIKeyCLNQYPVLUMBWEE-UHFFFAOYSA-N
XLogP4.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1012882) is N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC4CCCC4)c3n2)c1.
What is the InChIKey of N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CLNQYPVLUMBWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-29-14-8-4-5-12(9-14)16-10-17(20(21,22)23)27-18(26-16)15(11-24-27)19(28)25-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,25,28).
What are the key properties of N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1012882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).