N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

C19H25N3O2 — CID 128992476

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cc(C)cc(C(C)NC(=O)c2cn(C)nc2C2CCOC2)c1
InChIInChI=1S/C19H25N3O2/c1-12-7-13(2)9-16(8-12)14(3)20-19(23)17-10-22(4)21-18(17)15-5-6-24-11-15/h7-10,14-15H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyPVVOHKANLNKDCJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 128992476) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID128992476
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cc(C)cc(C(C)NC(=O)c2cn(C)nc2C2CCOC2)c1
InChIInChI=1S/C19H25N3O2/c1-12-7-13(2)9-16(8-12)14(3)20-19(23)17-10-22(4)21-18(17)15-5-6-24-11-15/h7-10,14-15H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyPVVOHKANLNKDCJ-UHFFFAOYSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
CID 129471970
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
CID 129477879
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129341540
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129477481
1-(3-methylbutyl)-3-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 113483564
3-cyclopropyl-N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 138005316
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 128992476) is N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1cc(C)cc(C(C)NC(=O)c2cn(C)nc2C2CCOC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is PVVOHKANLNKDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-7-13(2)9-16(8-12)14(3)20-19(23)17-10-22(4)21-18(17)15-5-6-24-11-15/h7-10,14-15H,5-6,11H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 128992476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).