3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide

C18H27N5O — CID 126775891

IUPAC3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cn1
InChIInChI=1S/C18H27N5O/c1-7-23(8-2)15-10-9-13(11-19-15)20-17(24)14-12-22(6)21-16(14)18(3,4)5/h9-12H,7-8H2,1-6H3,(H,20,24)
InChIKeyUBVOMJRXUIOGHI-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.21
Rot. Bonds5

About 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide

3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide (PubChem CID 126775891) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
PubChem CID126775891
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cn1
InChIInChI=1S/C18H27N5O/c1-7-23(8-2)15-10-9-13(11-19-15)20-17(24)14-12-22(6)21-16(14)18(3,4)5/h9-12H,7-8H2,1-6H3,(H,20,24)
InChIKeyUBVOMJRXUIOGHI-UHFFFAOYSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
CID 120641638
4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
CID 119845916
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277
N-[6-(diethylamino)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112833718
N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
CID 55844663
3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 47041053
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide (CID 126775891) is 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cn(C)nc2C(C)(C)C)cn1.
What is the InChIKey of 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UBVOMJRXUIOGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-7-23(8-2)15-10-9-13(11-19-15)20-17(24)14-12-22(6)21-16(14)18(3,4)5/h9-12H,7-8H2,1-6H3,(H,20,24).
What are the key properties of 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide?
3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126775891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).