2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid

C14H17N3O2 — CID 91792545

IUPAC2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1cccc(Cn2cccn2)c1
InChIInChI=1S/C14H17N3O2/c1-16(11-14(18)19)9-12-4-2-5-13(8-12)10-17-7-3-6-15-17/h2-8H,9-11H2,1H3,(H,18,19)
InChIKeyYDKLIFCFDSPJDU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.45
Rot. Bonds6

About 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid

2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid (PubChem CID 91792545) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid
PubChem CID91792545
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1cccc(Cn2cccn2)c1
InChIInChI=1S/C14H17N3O2/c1-16(11-14(18)19)9-12-4-2-5-13(8-12)10-17-7-3-6-15-17/h2-8H,9-11H2,1H3,(H,18,19)
InChIKeyYDKLIFCFDSPJDU-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]benzoic acid
CID 136550505
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
N-methyl-1,1-dioxo-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]thian-4-amine
CID 131918626
2-[3-(pyrazol-1-ylmethyl)phenyl]acetaldehyde
CID 123588781
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 19449951
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43356187
1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55931117

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid (CID 91792545) is 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid is CN(CC(=O)O)Cc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid?
The InChIKey is YDKLIFCFDSPJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16(11-14(18)19)9-12-4-2-5-13(8-12)10-17-7-3-6-15-17/h2-8H,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid?
2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 91792545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).