N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H17F3N6O — CID 19440221

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cc2ncccn2n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)14-10-13(11-3-4-11)25(24-14)7-2-6-22-16(27)12-9-15-21-5-1-8-26(15)23-12/h1,5,8-11H,2-4,6-7H2,(H,22,27)
InChIKeyYUDGJCYQBCDWQZ-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.64
Rot. Bonds6

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440221) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440221
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cc2ncccn2n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)14-10-13(11-3-4-11)25(24-14)7-2-6-22-16(27)12-9-15-21-5-1-8-26(15)23-12/h1,5,8-11H,2-4,6-7H2,(H,22,27)
InChIKeyYUDGJCYQBCDWQZ-UHFFFAOYSA-N
XLogP2.64
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.64
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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Related Compounds

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279711
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769583
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide
CID 17020642
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19563954
1-butyl-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 19334007
4-chloro-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769806
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19271498
1-cyclohexyl-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 19334011
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19272898
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
4-bromo-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4769624

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440221) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cc2ncccn2n1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YUDGJCYQBCDWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)14-10-13(11-3-4-11)25(24-14)7-2-6-22-16(27)12-9-15-21-5-1-8-26(15)23-12/h1,5,8-11H,2-4,6-7H2,(H,22,27).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).