2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid

C16H20N4O2 — CID 119135361

IUPAC2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C16H20N4O2/c21-16(22)13-19-8-6-18(7-9-19)11-14-10-17-20(12-14)15-4-2-1-3-5-15/h1-5,10,12H,6-9,11,13H2,(H,21,22)
InChIKeyUVTCYAOTPCRABA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.07
Rot. Bonds5

About 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid

2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 119135361) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID119135361
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C16H20N4O2/c21-16(22)13-19-8-6-18(7-9-19)11-14-10-17-20(12-14)15-4-2-1-3-5-15/h1-5,10,12H,6-9,11,13H2,(H,21,22)
InChIKeyUVTCYAOTPCRABA-UHFFFAOYSA-N
XLogP1.07
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
N-[1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 71932804
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 97089117
1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56902810
2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 86955131
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
CID 126605115
methyl 2-[3-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propanoylamino]acetate
CID 71931745
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166202
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid (CID 119135361) is 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is UVTCYAOTPCRABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(22)13-19-8-6-18(7-9-19)11-14-10-17-20(12-14)15-4-2-1-3-5-15/h1-5,10,12H,6-9,11,13H2,(H,21,22).
What are the key properties of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 119135361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).