2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

C7H11N3O2 — CID 3157464

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1C(N)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-3-5(4(2)10-9-3)6(8)7(11)12/h6H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyLLUFIONGXCUZRI-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.11
Rot. Bonds2

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 3157464) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
PubChem CID3157464
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1n[nH]c(C)c1C(N)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-3-5(4(2)10-9-3)6(8)7(11)12/h6H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyLLUFIONGXCUZRI-UHFFFAOYSA-N
XLogP0.11
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid (CID 3157464) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid is Cc1n[nH]c(C)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is LLUFIONGXCUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-5(4(2)10-9-3)6(8)7(11)12/h6H,8H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 3157464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).