4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid

C12H21N3O2 — CID 122127632

IUPAC4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid
SMILESCc1[nH]ncc1CNCC(CC(C)C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-8(2)4-10(12(16)17)5-13-6-11-7-14-15-9(11)3/h7-8,10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHKOYIJQKRQMWDC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.55
Rot. Bonds7

About 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid

4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid (PubChem CID 122127632) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid
PubChem CID122127632
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid
SMILESCc1[nH]ncc1CNCC(CC(C)C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-8(2)4-10(12(16)17)5-13-6-11-7-14-15-9(11)3/h7-8,10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHKOYIJQKRQMWDC-UHFFFAOYSA-N
XLogP1.55
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 78976359
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 61004070
2-[[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122128147
N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43663761
2-[[(5-bromo-2-chlorophenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073184
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128204
2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073032

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid (CID 122127632) is 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid is Cc1[nH]ncc1CNCC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid?
The InChIKey is HKOYIJQKRQMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)4-10(12(16)17)5-13-6-11-7-14-15-9(11)3/h7-8,10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid?
4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid has a molecular weight of 239.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid is sourced from PubChem (CID 122127632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).