4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide

C17H21F3N4O — CID 171682647

IUPAC4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cc(-c2cnn(C(C)(C)C)c2)ccn1)C(F)(F)F
InChIInChI=1S/C17H21F3N4O/c1-5-14(17(18,19)20)23-15(25)13-8-11(6-7-21-13)12-9-22-24(10-12)16(2,3)4/h6-10,14H,5H2,1-4H3,(H,23,25)
InChIKeyHKKLQVXRILZDKF-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.77
Rot. Bonds4

About 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide

4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide (PubChem CID 171682647) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide
PubChem CID171682647
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cc(-c2cnn(C(C)(C)C)c2)ccn1)C(F)(F)F
InChIInChI=1S/C17H21F3N4O/c1-5-14(17(18,19)20)23-15(25)13-8-11(6-7-21-13)12-9-22-24(10-12)16(2,3)4/h6-10,14H,5H2,1-4H3,(H,23,25)
InChIKeyHKKLQVXRILZDKF-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide
CID 171682595
2-[4-(1-tert-butylpyrazol-4-yl)-2-fluorophenoxy]acetic acid
CID 167933942
2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine
CID 166393602
4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 146457338
N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155213546
4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine
CID 163793487
6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4116151
4-(1-tert-butylpyrazol-4-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpyridine-2-carboxamide
CID 171682631
5-(2,2-difluoropentan-3-ylcarbamoyl)-1-methylpyrazole-3-carboxylic acid
CID 166303173
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155231987
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide (CID 171682647) is 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide is CCC(NC(=O)c1cc(-c2cnn(C(C)(C)C)c2)ccn1)C(F)(F)F.
What is the InChIKey of 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide?
The InChIKey is HKKLQVXRILZDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-5-14(17(18,19)20)23-15(25)13-8-11(6-7-21-13)12-9-22-24(10-12)16(2,3)4/h6-10,14H,5H2,1-4H3,(H,23,25).
What are the key properties of 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide?
4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 171682647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).