2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid

C9H16N4O2 — CID 66019776

IUPAC2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
SMILESCC(C)c1nn(C)c(NCC(=O)O)c1N
InChIInChI=1S/C9H16N4O2/c1-5(2)8-7(10)9(13(3)12-8)11-4-6(14)15/h5,11H,4,10H2,1-3H3,(H,14,15)
InChIKeyAJWCUKSXCJIAJK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.62
Rot. Bonds4

About 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid (PubChem CID 66019776) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
PubChem CID66019776
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
SMILESCC(C)c1nn(C)c(NCC(=O)O)c1N
InChIInChI=1S/C9H16N4O2/c1-5(2)8-7(10)9(13(3)12-8)11-4-6(14)15/h5,11H,4,10H2,1-3H3,(H,14,15)
InChIKeyAJWCUKSXCJIAJK-UHFFFAOYSA-N
XLogP0.62
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide
CID 66018194
3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea
CID 83116434
5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
CID 114146037
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780
5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 104758808
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
CID 66012143
1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 114185816
(2S)-2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248049
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid (CID 66019776) is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid is CC(C)c1nn(C)c(NCC(=O)O)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid?
The InChIKey is AJWCUKSXCJIAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5(2)8-7(10)9(13(3)12-8)11-4-6(14)15/h5,11H,4,10H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid?
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid is sourced from PubChem (CID 66019776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).