N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide

C14H26N4O — CID 110281589

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(CN(C)C)[nH]n1
InChIInChI=1S/C14H26N4O/c1-5-7-8-11(6-2)14(19)15-13-9-12(16-17-13)10-18(3)4/h9,11H,5-8,10H2,1-4H3,(H2,15,16,17,19)
InChIKeyTXHGFZQYRSMNRP-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.63
Rot. Bonds8

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide (PubChem CID 110281589) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide
PubChem CID110281589
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(CN(C)C)[nH]n1
InChIInChI=1S/C14H26N4O/c1-5-7-8-11(6-2)14(19)15-13-9-12(16-17-13)10-18(3)4/h9,11H,5-8,10H2,1-4H3,(H2,15,16,17,19)
InChIKeyTXHGFZQYRSMNRP-UHFFFAOYSA-N
XLogP2.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 56789937
4-methyl-N-[2-oxo-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pentanamide
CID 72147396
2,2-dimethyl-N-[2-oxo-2-[[5-[(2S)-pentan-2-yl]-1H-pyrazol-3-yl]amino]ethyl]propanamide
CID 97583952
N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47289838
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932745
4,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
CID 81932763
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 95755362
N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622450
4-methyl-2-(2-oxopiperidin-1-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
CID 132362241
2-cyclopent-2-en-1-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 132382482
3,3-difluoro-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
CID 136539268
1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
CID 166223890

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide (CID 110281589) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cc(CN(C)C)[nH]n1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide?
The InChIKey is TXHGFZQYRSMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-7-8-11(6-2)14(19)15-13-9-12(16-17-13)10-18(3)4/h9,11H,5-8,10H2,1-4H3,(H2,15,16,17,19).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide has a molecular weight of 266.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-ethylhexanamide is sourced from PubChem (CID 110281589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).