2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid

C16H19N3O3 — CID 72916606

IUPAC2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C16H19N3O3/c1-19(9-12-8-14(18-17-12)10-2-3-10)15(16(21)22)11-4-6-13(20)7-5-11/h4-8,10,15,20H,2-3,9H2,1H3,(H,17,18)(H,21,22)
InChIKeyULADVMGXGHJYDF-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds6

About 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid

2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid (PubChem CID 72916606) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid
PubChem CID72916606
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C16H19N3O3/c1-19(9-12-8-14(18-17-12)10-2-3-10)15(16(21)22)11-4-6-13(20)7-5-11/h4-8,10,15,20H,2-3,9H2,1H3,(H,17,18)(H,21,22)
InChIKeyULADVMGXGHJYDF-UHFFFAOYSA-N
XLogP2.25
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid (CID 72916606) is 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid is CN(Cc1cc(C2CC2)n[nH]1)C(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is ULADVMGXGHJYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19(9-12-8-14(18-17-12)10-2-3-10)15(16(21)22)11-4-6-13(20)7-5-11/h4-8,10,15,20H,2-3,9H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid?
2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 301.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 72916606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).