1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

C18H26N4O — CID 87012220

IUPAC1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2cccnc2)nn1C(C)(C)C
InChIInChI=1S/C18H26N4O/c1-13(2)16-11-15(21-22(16)18(3,4)5)17(23)20-10-8-14-7-6-9-19-12-14/h6-7,9,11-13H,8,10H2,1-5H3,(H,20,23)
InChIKeyPNQHQXZZUIHDCC-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.13
Rot. Bonds5

About 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (PubChem CID 87012220) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
PubChem CID87012220
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2cccnc2)nn1C(C)(C)C
InChIInChI=1S/C18H26N4O/c1-13(2)16-11-15(21-22(16)18(3,4)5)17(23)20-10-8-14-7-6-9-19-12-14/h6-7,9,11-13H,8,10H2,1-5H3,(H,20,23)
InChIKeyPNQHQXZZUIHDCC-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

1-tert-butyl-5-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-3-carboxamide
CID 47056995
1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
CID 110000703
1-tert-butyl-N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 55900542
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818624
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 60914798
(2S)-3,3-dimethyl-2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204039
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (CID 87012220) is 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCCc2cccnc2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The InChIKey is PNQHQXZZUIHDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)16-11-15(21-22(16)18(3,4)5)17(23)20-10-8-14-7-6-9-19-12-14/h6-7,9,11-13H,8,10H2,1-5H3,(H,20,23).
What are the key properties of 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 87012220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).