2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid

C10H17N3O2 — CID 56703387

IUPAC2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
SMILESCN(CCCc1cnn(C)c1)CC(=O)O
InChIInChI=1S/C10H17N3O2/c1-12(8-10(14)15)5-3-4-9-6-11-13(2)7-9/h6-7H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyCZXUPGQLLWVLDF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.37
Rot. Bonds6

About 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid

2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid (PubChem CID 56703387) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
PubChem CID56703387
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
SMILESCN(CCCc1cnn(C)c1)CC(=O)O
InChIInChI=1S/C10H17N3O2/c1-12(8-10(14)15)5-3-4-9-6-11-13(2)7-9/h6-7H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyCZXUPGQLLWVLDF-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 95399063
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
methyl 4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]butanoate
CID 103013993
2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 82538136
7-(1-methylpyrazol-4-yl)heptan-3-one
CID 103015822
2,2-dimethyl-6-(1-methylpyrazol-4-yl)hexan-3-one
CID 64505015
3-[ethyl-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 80688938

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid (CID 56703387) is 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid is CN(CCCc1cnn(C)c1)CC(=O)O.
What is the InChIKey of 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid?
The InChIKey is CZXUPGQLLWVLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12(8-10(14)15)5-3-4-9-6-11-13(2)7-9/h6-7H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid?
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid is sourced from PubChem (CID 56703387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).