5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid

C12H20N4O3 — CID 82848263

IUPAC5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCc1ccnn1C
InChIInChI=1S/C12H20N4O3/c1-9(4-3-5-11(17)18)15-12(19)13-8-10-6-7-14-16(10)2/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)(H2,13,15,19)
InChIKeyXVKNFQWXCGRTIU-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.86
Rot. Bonds7

About 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid

5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid (PubChem CID 82848263) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
PubChem CID82848263
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCc1ccnn1C
InChIInChI=1S/C12H20N4O3/c1-9(4-3-5-11(17)18)15-12(19)13-8-10-6-7-14-16(10)2/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)(H2,13,15,19)
InChIKeyXVKNFQWXCGRTIU-UHFFFAOYSA-N
XLogP0.86
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic 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-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
CID 82848419
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid
CID 82848501
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 36974759
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid (CID 82848263) is 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)NCc1ccnn1C.
What is the InChIKey of 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid?
The InChIKey is XVKNFQWXCGRTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(4-3-5-11(17)18)15-12(19)13-8-10-6-7-14-16(10)2/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)(H2,13,15,19).
What are the key properties of 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid?
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82848263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).