2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid

C15H25N3O3 — CID 65285303

IUPAC2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
SMILESCc1nn(C)c(C)c1C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C15H25N3O3/c1-9(15(20)21)7-6-8-10(2)16-14(19)13-11(3)17-18(5)12(13)4/h9-10H,6-8H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyZMXBIVSHILLQTL-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.05
Rot. Bonds7

About 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid

2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid (PubChem CID 65285303) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
PubChem CID65285303
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
SMILESCc1nn(C)c(C)c1C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C15H25N3O3/c1-9(15(20)21)7-6-8-10(2)16-14(19)13-11(3)17-18(5)12(13)4/h9-10H,6-8H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyZMXBIVSHILLQTL-UHFFFAOYSA-N
XLogP2.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 107820677
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
1,3,5-trimethyl-N-[(2S)-4-oxo-4-phenylbutan-2-yl]pyrazole-4-carboxamide
CID 97065090
N-but-3-yn-2-yl-1,3,5-trimethylpyrazole-4-carboxamide
CID 114389977
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylheptanoic acid
CID 65289338
N-(3-bromobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114312498
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106357153
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103798865
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid (CID 65285303) is 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid is Cc1nn(C)c(C)c1C(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid?
The InChIKey is ZMXBIVSHILLQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(15(20)21)7-6-8-10(2)16-14(19)13-11(3)17-18(5)12(13)4/h9-10H,6-8H2,1-5H3,(H,16,19)(H,20,21).
What are the key properties of 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid?
2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 65285303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).