5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid

C13H21N3O3 — CID 4061705

IUPAC5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid
SMILESCc1nn(C)c(C)c1CN(C)C(=O)CCCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9-11(10(2)16(4)14-9)8-15(3)12(17)6-5-7-13(18)19/h5-8H2,1-4H3,(H,18,19)
InChIKeyHPXSNHBAWAMDCW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.25
Rot. Bonds6

About 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid

5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid (PubChem CID 4061705) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid
PubChem CID4061705
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid
SMILESCc1nn(C)c(C)c1CN(C)C(=O)CCCC(=O)O
InChIInChI=1S/C13H21N3O3/c1-9-11(10(2)16(4)14-9)8-15(3)12(17)6-5-7-13(18)19/h5-8H2,1-4H3,(H,18,19)
InChIKeyHPXSNHBAWAMDCW-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 1084875
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CID 7131172
3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220
2-(3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl)acetic acid
CID 23005849
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
1-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 75467686
3-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-methylamino]propanoic acid
CID 86779671
(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 97317535
(3R)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 97317536
1-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119136681
4-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-methylamino]butanoic acid
CID 119137233
2-[1-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidin-4-yl]acetic acid
CID 119178447

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid (CID 4061705) is 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid is Cc1nn(C)c(C)c1CN(C)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid?
The InChIKey is HPXSNHBAWAMDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-11(10(2)16(4)14-9)8-15(3)12(17)6-5-7-13(18)19/h5-8H2,1-4H3,(H,18,19).
What are the key properties of 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid?
5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 4061705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).