1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide

C20H26N6O — CID 47088977

IUPAC1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccn(CCc3ccccn3)n2)cnn1C(C)(C)C
InChIInChI=1S/C20H26N6O/c1-5-17-16(14-22-26(17)20(2,3)4)19(27)23-18-10-13-25(24-18)12-9-15-8-6-7-11-21-15/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,23,24,27)
InChIKeyIRLCUISPLWNGDY-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.29
Rot. Bonds6

About 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide

1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 47088977) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID47088977
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccn(CCc3ccccn3)n2)cnn1C(C)(C)C
InChIInChI=1S/C20H26N6O/c1-5-17-16(14-22-26(17)20(2,3)4)19(27)23-18-10-13-25(24-18)12-9-15-8-6-7-11-21-15/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,23,24,27)
InChIKeyIRLCUISPLWNGDY-UHFFFAOYSA-N
XLogP3.29
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]pyrazole-5-carboxamide
CID 165415136
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1247796
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
5-methyl-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 71453151
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxamide
CID 9974591
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
CID 46228443
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridazin-3-yl)benzamide
CID 50899554
N-[1-(4-methylphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554581
N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555955

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide (CID 47088977) is 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccn(CCc3ccccn3)n2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is IRLCUISPLWNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-5-17-16(14-22-26(17)20(2,3)4)19(27)23-18-10-13-25(24-18)12-9-15-8-6-7-11-21-15/h6-8,10-11,13-14H,5,9,12H2,1-4H3,(H,23,24,27).
What are the key properties of 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide?
1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 47088977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).