N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C20H20FN7O — CID 44824942

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1
InChIInChI=1S/C20H20FN7O/c1-12-8-14(3)27(26-12)10-13(2)24-19(29)18-9-17(15-4-6-16(21)7-5-15)25-20-22-11-23-28(18)20/h4-9,11,13H,10H2,1-3H3,(H,24,29)
InChIKeyMQUFLKUKNKXVND-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.56
Rot. Bonds5

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 44824942) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID44824942
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C)n(CC(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1
InChIInChI=1S/C20H20FN7O/c1-12-8-14(3)27(26-12)10-13(2)24-19(29)18-9-17(15-4-6-16(21)7-5-15)25-20-22-11-23-28(18)20/h4-9,11,13H,10H2,1-3H3,(H,24,29)
InChIKeyMQUFLKUKNKXVND-UHFFFAOYSA-N
XLogP2.56
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 44824810
5-(4-fluorophenyl)-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 51855183
5-(4-fluorophenyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 51855305
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 44824708
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
CID 119064151
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852951
N-[(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-yl]-5-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 51855339
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 44824942) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C)n(CC(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn23)n1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is MQUFLKUKNKXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-12-8-14(3)27(26-12)10-13(2)24-19(29)18-9-17(15-4-6-16(21)7-5-15)25-20-22-11-23-28(18)20/h4-9,11,13H,10H2,1-3H3,(H,24,29).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44824942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).