3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide

C17H24N4O — CID 154739477

IUPAC3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H24N4O/c1-12(13-7-9-18-10-8-13)21(6)16(22)14-11-20(5)19-15(14)17(2,3)4/h7-12H,1-6H3
InChIKeyCDLQIPPFJFKRFR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.95
Rot. Bonds3

About 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide

3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 154739477) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID154739477
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H24N4O/c1-12(13-7-9-18-10-8-13)21(6)16(22)14-11-20(5)19-15(14)17(2,3)4/h7-12H,1-6H3
InChIKeyCDLQIPPFJFKRFR-UHFFFAOYSA-N
XLogP2.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 102810761
6-(diethylaminomethyl)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95211110
3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide
CID 75484222
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761
N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 146088120
1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 95222062
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide (CID 154739477) is 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide is CC(c1ccncc1)N(C)C(=O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is CDLQIPPFJFKRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(13-7-9-18-10-8-13)21(6)16(22)14-11-20(5)19-15(14)17(2,3)4/h7-12H,1-6H3.
What are the key properties of 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,1-dimethyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154739477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).