4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid

C12H19N3O3 — CID 43151815

IUPAC4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCc1nn(C)c(C)c1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-11(9(2)15(4)13-8)12(18)14(3)7-5-6-10(16)17/h5-7H2,1-4H3,(H,16,17)
InChIKeyIWBSICGLRVKZCF-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.97
Rot. Bonds5

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

4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 43151815) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID43151815
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCc1nn(C)c(C)c1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-11(9(2)15(4)13-8)12(18)14(3)7-5-6-10(16)17/h5-7H2,1-4H3,(H,16,17)
InChIKeyIWBSICGLRVKZCF-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 107206591
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119173238
4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid
CID 119347085
4-[methyl-(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid
CID 43092358
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
4-[methyl-(2,3,4,5,6-pentafluorobenzoyl)amino]butanoic acid
CID 43403414
ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 55003284
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63398323
N,1,3,5-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-4-carboxamide
CID 77089309
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
CID 60825576

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid (CID 43151815) is 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid is Cc1nn(C)c(C)c1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is IWBSICGLRVKZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-11(9(2)15(4)13-8)12(18)14(3)7-5-6-10(16)17/h5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid?
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43151815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).