N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C17H24N4O — CID 70781233

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(CC(C)C)nn2C)cn1
InChIInChI=1S/C17H24N4O/c1-11(2)6-15-8-16(21(5)20-15)17(22)19-10-14-9-18-13(4)7-12(14)3/h7-9,11H,6,10H2,1-5H3,(H,19,22)
InChIKeyCDMFYXYDXWUBGM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.56
Rot. Bonds5

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70781233) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70781233
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(CC(C)C)nn2C)cn1
InChIInChI=1S/C17H24N4O/c1-11(2)6-15-8-16(21(5)20-15)17(22)19-10-14-9-18-13(4)7-12(14)3/h7-9,11H,6,10H2,1-5H3,(H,19,22)
InChIKeyCDMFYXYDXWUBGM-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 91842420
1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide
CID 50955268
2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 119059769
1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70776595
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70752326
1-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70767251
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70762626
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70758757
1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
CID 131939420
1-methyl-3-(2-methylpropyl)-N-[4-[(2S)-oxolan-2-yl]butyl]pyrazole-5-carboxamide
CID 96580843
3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
CID 130944215

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70781233) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(CC(C)C)nn2C)cn1.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is CDMFYXYDXWUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)6-15-8-16(21(5)20-15)17(22)19-10-14-9-18-13(4)7-12(14)3/h7-9,11H,6,10H2,1-5H3,(H,19,22).
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70781233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).