6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid

C14H23N3O3 — CID 65286168

IUPAC6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8(14(19)20)6-5-7-9(2)15-13(18)12-10(3)16-17-11(12)4/h8-9H,5-7H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyRULLZXZLGZBRNS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.04
Rot. Bonds7

About 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid

6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid (PubChem CID 65286168) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
PubChem CID65286168
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-8(14(19)20)6-5-7-9(2)15-13(18)12-10(3)16-17-11(12)4/h8-9H,5-7H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyRULLZXZLGZBRNS-UHFFFAOYSA-N
XLogP2.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
CID 65285303
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
3,5-dimethyl-N-octan-4-yl-1H-pyrazole-4-carboxamide
CID 113249951
3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 54867695
2-methyl-6-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]heptanoic acid
CID 65284802
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-5-methoxypentanoic acid
CID 81085336
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid (CID 65286168) is 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid is Cc1n[nH]c(C)c1C(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid?
The InChIKey is RULLZXZLGZBRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(14(19)20)6-5-7-9(2)15-13(18)12-10(3)16-17-11(12)4/h8-9H,5-7H2,1-4H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid?
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65286168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).