4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid

C10H17N3O2 — CID 61442435

IUPAC4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-12(5-3-4-10(14)15)7-9-6-11-13(2)8-9/h6,8H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyITULZZQSZGBZIL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.72
Rot. Bonds6

About 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid

4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid (PubChem CID 61442435) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
PubChem CID61442435
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-12(5-3-4-10(14)15)7-9-6-11-13(2)8-9/h6,8H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyITULZZQSZGBZIL-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
methyl 4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]butanoate
CID 103013993
4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361582
N-(2-cyanoethyl)-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanamide
CID 61438320
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid (CID 61442435) is 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid is CN(CCCC(=O)O)Cc1cnn(C)c1.
What is the InChIKey of 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid?
The InChIKey is ITULZZQSZGBZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12(5-3-4-10(14)15)7-9-6-11-13(2)8-9/h6,8H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid?
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 61442435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).