6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid

C14H23N3O3 — CID 65284540

IUPAC6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCc1c(C(=O)NCCC(C)(C)CCC(=O)O)cnn1C
InChIInChI=1S/C14H23N3O3/c1-10-11(9-16-17(10)4)13(20)15-8-7-14(2,3)6-5-12(18)19/h9H,5-8H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyAUCYRQOTZUTKCE-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.74
Rot. Bonds7

About 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65284540) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65284540
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCc1c(C(=O)NCCC(C)(C)CCC(=O)O)cnn1C
InChIInChI=1S/C14H23N3O3/c1-10-11(9-16-17(10)4)13(20)15-8-7-14(2,3)6-5-12(18)19/h9H,5-8H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyAUCYRQOTZUTKCE-UHFFFAOYSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 66171165
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 65284491
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649

Frequently Asked Questions

What is the IUPAC name of 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65284540) is 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid is Cc1c(C(=O)NCCC(C)(C)CCC(=O)O)cnn1C.
What is the InChIKey of 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is AUCYRQOTZUTKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-11(9-16-17(10)4)13(20)15-8-7-14(2,3)6-5-12(18)19/h9H,5-8H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).