2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid

C14H15N3O2 — CID 43754555

IUPAC2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid
SMILESO=C(O)C(NC1CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3O2/c18-14(19)13(16-11-6-7-11)10-8-15-17(9-10)12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7H2,(H,18,19)
InChIKeyBIICRHVJZWQPIM-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.75
Rot. Bonds5

About 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid

2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid (PubChem CID 43754555) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid
PubChem CID43754555
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid
SMILESO=C(O)C(NC1CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3O2/c18-14(19)13(16-11-6-7-11)10-8-15-17(9-10)12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7H2,(H,18,19)
InChIKeyBIICRHVJZWQPIM-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60998462
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 79367084
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
N-[1-(1-phenylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 103902666
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998789
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid (CID 43754555) is 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid is O=C(O)C(NC1CC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid?
The InChIKey is BIICRHVJZWQPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)13(16-11-6-7-11)10-8-15-17(9-10)12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7H2,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid?
2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 43754555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).