N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H16F3N5O — CID 166262697

IUPACN-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc3nccc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H16F3N5O/c1-21-6-3-9(4-7-21)19-13(23)10-8-12-18-5-2-11(14(15,16)17)22(12)20-10/h2,5,8-9H,3-4,6-7H2,1H3,(H,19,23)
InChIKeySFTQTBLSUQPXNF-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.57
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 166262697) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID166262697
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc3nccc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H16F3N5O/c1-21-6-3-9(4-7-21)19-13(23)10-8-12-18-5-2-11(14(15,16)17)22(12)20-10/h2,5,8-9H,3-4,6-7H2,1H3,(H,19,23)
InChIKeySFTQTBLSUQPXNF-UHFFFAOYSA-N
XLogP1.57
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 166262697) is N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN1CCC(NC(=O)c2cc3nccc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SFTQTBLSUQPXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-21-6-3-9(4-7-21)19-13(23)10-8-12-18-5-2-11(14(15,16)17)22(12)20-10/h2,5,8-9H,3-4,6-7H2,1H3,(H,19,23).
What are the key properties of N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166262697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).