4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide

C17H22N4O2 — CID 119138224

IUPAC4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H22N4O2/c1-10(9-15-11(2)20-21(4)12(15)3)19-17(23)14-7-5-13(6-8-14)16(18)22/h5-8,10H,9H2,1-4H3,(H2,18,22)(H,19,23)
InChIKeyKOPXLIZNHIFSNT-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.50
Rot. Bonds5

About 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide

4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide (PubChem CID 119138224) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
PubChem CID119138224
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H22N4O2/c1-10(9-15-11(2)20-21(4)12(15)3)19-17(23)14-7-5-13(6-8-14)16(18)22/h5-8,10H,9H2,1-4H3,(H2,18,22)(H,19,23)
InChIKeyKOPXLIZNHIFSNT-UHFFFAOYSA-N
XLogP1.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
3-methyl-5-nitro-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzamide
CID 122142531
6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide
CID 92635382
3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 120501674
N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026295
(2S)-2-amino-3,3-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 119805230
6-fluoro-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-3-carboxamide
CID 46975769
3-methyl-1-phenyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 99811426
1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672
2-(1-methylpyrazol-3-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinoline-4-carboxamide
CID 92626923
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
1-(6-cyclopropylpyridazin-3-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97001695

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide (CID 119138224) is 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide is Cc1nn(C)c(C)c1CC(C)NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is KOPXLIZNHIFSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10(9-15-11(2)20-21(4)12(15)3)19-17(23)14-7-5-13(6-8-14)16(18)22/h5-8,10H,9H2,1-4H3,(H2,18,22)(H,19,23).
What are the key properties of 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide?
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 119138224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).