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

C11H19N3O2 — CID 64975118

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
SMILESCc1n[nH]c(C)c1C(NCC(C)C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-6(2)5-12-10(11(15)16)9-7(3)13-14-8(9)4/h6,10,12H,5H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyLYUFFMQLMAQMJQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid (PubChem CID 64975118) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
PubChem CID64975118
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
SMILESCc1n[nH]c(C)c1C(NCC(C)C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-6(2)5-12-10(11(15)16)9-7(3)13-14-8(9)4/h6,10,12H,5H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyLYUFFMQLMAQMJQ-UHFFFAOYSA-N
XLogP1.40
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-azidoethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 66188628
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(hexanoylamino)acetic acid
CID 95207705
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 64975087
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 50952889
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide
CID 131939244
(2S)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95218230
(2R)-2-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95188504
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(4-fluorobenzoyl)amino]propanoylamino]acetic acid
CID 95200085
2-[[4-(dimethylamino)benzoyl]amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 50977840
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 95204371
ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975145

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid (CID 64975118) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid is Cc1n[nH]c(C)c1C(NCC(C)C)C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
The InChIKey is LYUFFMQLMAQMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-6(2)5-12-10(11(15)16)9-7(3)13-14-8(9)4/h6,10,12H,5H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid is sourced from PubChem (CID 64975118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).