N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H14ClF3N6O — CID 19449491

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3cc(Cl)cn3)cc2n1
InChIInChI=1S/C15H14ClF3N6O/c1-9-5-12(15(17,18)19)25-13(22-9)6-11(23-25)14(26)20-3-2-4-24-8-10(16)7-21-24/h5-8H,2-4H2,1H3,(H,20,26)
InChIKeyRHSCYQUMBCAUMD-UHFFFAOYSA-N
MW386.77 g/mol
LogP2.73
Rot. Bonds5

About N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449491) has the molecular formula C15H14ClF3N6O and a molecular weight of 386.77 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449491
Molecular FormulaC15H14ClF3N6O
Molecular Weight386.77 g/mol
Exact Mass386.09
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3cc(Cl)cn3)cc2n1
InChIInChI=1S/C15H14ClF3N6O/c1-9-5-12(15(17,18)19)25-13(22-9)6-11(23-25)14(26)20-3-2-4-24-8-10(16)7-21-24/h5-8H,2-4H2,1H3,(H,20,26)
InChIKeyRHSCYQUMBCAUMD-UHFFFAOYSA-N
XLogP2.73
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449491) is N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3cc(Cl)cn3)cc2n1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RHSCYQUMBCAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N6O/c1-9-5-12(15(17,18)19)25-13(22-9)6-11(23-25)14(26)20-3-2-4-24-8-10(16)7-21-24/h5-8H,2-4H2,1H3,(H,20,26).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 386.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).