3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide

C17H20N6O — CID 87024966

IUPAC3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H20N6O/c1-17(2,3)14-11-13(22(4)21-14)16(24)20-12-7-5-8-18-15(12)23-10-6-9-19-23/h5-11H,1-4H3,(H,20,24)
InChIKeyINCBWFVAWFYNCG-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.55
Rot. Bonds3

About 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide (PubChem CID 87024966) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide
PubChem CID87024966
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H20N6O/c1-17(2,3)14-11-13(22(4)21-14)16(24)20-12-7-5-8-18-15(12)23-10-6-9-19-23/h5-11H,1-4H3,(H,20,24)
InChIKeyINCBWFVAWFYNCG-UHFFFAOYSA-N
XLogP2.55
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide
CID 95807796
2-methoxy-2-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 103028916
3-amino-2,2-dimethyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 115426322
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
2-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884704
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 62952714
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
3-tert-butyl-1-methyl-N-(2,3,4-trifluorophenyl)pyrazole-5-carboxamide
CID 87023647
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884817
4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 39167014

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide (CID 87024966) is 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is INCBWFVAWFYNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(2,3)14-11-13(22(4)21-14)16(24)20-12-7-5-8-18-15(12)23-10-6-9-19-23/h5-11H,1-4H3,(H,20,24).
What are the key properties of 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 87024966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).