N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H21ClF3N3O — CID 17020537

IUPACN-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21ClF3N3O/c1-24-13(12(18)14(23-24)17(19,20)21)15(25)22-8-16-5-9-2-10(6-16)4-11(3-9)7-16/h9-11H,2-8H2,1H3,(H,22,25)
InChIKeyMNEWCTKRKXTKBD-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.04
Rot. Bonds3

About N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 17020537) has the molecular formula C17H21ClF3N3O and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID17020537
Molecular FormulaC17H21ClF3N3O
Molecular Weight375.82 g/mol
Exact Mass375.13
IUPAC NameN-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21ClF3N3O/c1-24-13(12(18)14(23-24)17(19,20)21)15(25)22-8-16-5-9-2-10(6-16)4-11(3-9)7-16/h9-11H,2-8H2,1H3,(H,22,25)
InChIKeyMNEWCTKRKXTKBD-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-adamantyl)-4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 832065
N-(2-adamantyl)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 844562
4-chloro-N,N-dicyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768045
4-chloro-N-cyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769865
N-(1-Adamantylmethyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4770268
4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4771106
N-(1-Adamantylmethyl)-2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-YL]acetamide
CID 4771817
N-(1-adamantyl)-4-chloro-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 17020367
N-(1-adamantylmethyl)-4-bromo-2,5-dimethylpyrazole-3-carboxamide
CID 17020939
N-(1-adamantyl)-4-chloro-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278133
N-(1-adamantyl)-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768717
N~3~-(2-Adamantyl)-4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768722

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 17020537) is N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MNEWCTKRKXTKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3O/c1-24-13(12(18)14(23-24)17(19,20)21)15(25)22-8-16-5-9-2-10(6-16)4-11(3-9)7-16/h9-11H,2-8H2,1H3,(H,22,25).
What are the key properties of N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 17020537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).