N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide

C19H27N3O2 — CID 30767452

IUPACN-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C19H27N3O2/c1-4-5-11-24-12-7-10-20-19(23)18-14-21-22(16(18)3)17-9-6-8-15(2)13-17/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3,(H,20,23)
InChIKeyLDEQEGOOFKKYFD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.43
Rot. Bonds9

About N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide

N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 30767452) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID30767452
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C19H27N3O2/c1-4-5-11-24-12-7-10-20-19(23)18-14-21-22(16(18)3)17-9-6-8-15(2)13-17/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3,(H,20,23)
InChIKeyLDEQEGOOFKKYFD-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36746054
N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55693687
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide (CID 30767452) is N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide is CCCCOCCCNC(=O)c1cnn(-c2cccc(C)c2)c1C.
What is the InChIKey of N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is LDEQEGOOFKKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-5-11-24-12-7-10-20-19(23)18-14-21-22(16(18)3)17-9-6-8-15(2)13-17/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3,(H,20,23).
What are the key properties of N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 30767452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).