N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H18F3N7O — CID 60589505

IUPACN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3nc4nccc(C)n4n3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C20H18F3N7O/c1-11-8-13(3)29(27-11)15-5-4-14(16(9-15)20(21,22)23)10-25-18(31)17-26-19-24-7-6-12(2)30(19)28-17/h4-9H,10H2,1-3H3,(H,25,31)
InChIKeyTVDRAQCBMGQGCP-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.18
Rot. Bonds4

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

N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 60589505) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID60589505
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC NameN-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3nc4nccc(C)n4n3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C20H18F3N7O/c1-11-8-13(3)29(27-11)15-5-4-14(16(9-15)20(21,22)23)10-25-18(31)17-26-19-24-7-6-12(2)30(19)28-17/h4-9H,10H2,1-3H3,(H,25,31)
InChIKeyTVDRAQCBMGQGCP-UHFFFAOYSA-N
XLogP3.18
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-2-methylguanidine
CID 110918505
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-2-methyl-5-nitrobenzamide
CID 60595469
2-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182599
(2S)-2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 119752936
2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119305736
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119752914
(2S)-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 95226779
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-1-phenylpyrrolidine-3-carboxamide
CID 155964422
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119752904
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 60589505) is N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)c3nc4nccc(C)n4n3)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TVDRAQCBMGQGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-11-8-13(3)29(27-11)15-5-4-14(16(9-15)20(21,22)23)10-25-18(31)17-26-19-24-7-6-12(2)30(19)28-17/h4-9H,10H2,1-3H3,(H,25,31).
What are the key properties of N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 60589505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).