5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16F5N7O — CID 145153253

IUPAC5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCCC(F)(F)C4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H16F5N7O/c1-27-8-11(13(26-27)17(20,21)22)24-15(30)10-7-23-29-6-3-12(25-14(10)29)28-5-2-4-16(18,19)9-28/h3,6-8H,2,4-5,9H2,1H3,(H,24,30)
InChIKeyJDDNSNBLIKIRNK-UHFFFAOYSA-N
MW429.35 g/mol
LogP2.97
Rot. Bonds3

About 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145153253) has the molecular formula C17H16F5N7O and a molecular weight of 429.35 g/mol. Its IUPAC name is 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145153253
Molecular FormulaC17H16F5N7O
Molecular Weight429.35 g/mol
Exact Mass429.13
IUPAC Name5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCCC(F)(F)C4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H16F5N7O/c1-27-8-11(13(26-27)17(20,21)22)24-15(30)10-7-23-29-6-3-12(25-14(10)29)28-5-2-4-16(18,19)9-28/h3,6-8H,2,4-5,9H2,1H3,(H,24,30)
InChIKeyJDDNSNBLIKIRNK-UHFFFAOYSA-N
XLogP2.97
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145153253) is 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N4CCCC(F)(F)C4)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JDDNSNBLIKIRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5N7O/c1-27-8-11(13(26-27)17(20,21)22)24-15(30)10-7-23-29-6-3-12(25-14(10)29)28-5-2-4-16(18,19)9-28/h3,6-8H,2,4-5,9H2,1H3,(H,24,30).
What are the key properties of 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropiperidin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145153253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).