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

C24H25F3N6O — CID 19327912

IUPACN-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cc2nc(-c3ccc(C(C)C)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C24H25F3N6O/c1-15(2)17-5-7-18(8-6-17)19-13-21(24(25,26)27)33-22(30-19)14-20(31-33)23(34)28-10-4-12-32-16(3)9-11-29-32/h5-9,11,13-15H,4,10,12H2,1-3H3,(H,28,34)
InChIKeyHJTWNOLVZPWFNG-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.86
Rot. Bonds7

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

N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19327912) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19327912
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC NameN-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cc2nc(-c3ccc(C(C)C)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C24H25F3N6O/c1-15(2)17-5-7-18(8-6-17)19-13-21(24(25,26)27)33-22(30-19)14-20(31-33)23(34)28-10-4-12-32-16(3)9-11-29-32/h5-9,11,13-15H,4,10,12H2,1-3H3,(H,28,34)
InChIKeyHJTWNOLVZPWFNG-UHFFFAOYSA-N
XLogP4.86
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.86
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-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19327912) is N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnn1CCCNC(=O)c1cc2nc(-c3ccc(C(C)C)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HJTWNOLVZPWFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-15(2)17-5-7-18(8-6-17)19-13-21(24(25,26)27)33-22(30-19)14-20(31-33)23(34)28-10-4-12-32-16(3)9-11-29-32/h5-9,11,13-15H,4,10,12H2,1-3H3,(H,28,34).
What are the key properties of N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19327912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).