(2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid

C12H18N4O3 — CID 95555728

IUPAC(2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCN1
InChIInChI=1S/C12H18N4O3/c17-11(3-1-2-9-6-14-15-7-9)16-5-4-13-10(8-16)12(18)19/h6-7,10,13H,1-5,8H2,(H,14,15)(H,18,19)/t10-/m1/s1
InChIKeyUZQWYYUAPQAVND-SNVBAGLBSA-N
MW266.30 g/mol
LogP-0.38
Rot. Bonds5

About (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid

(2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid (PubChem CID 95555728) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid
PubChem CID95555728
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCN1
InChIInChI=1S/C12H18N4O3/c17-11(3-1-2-9-6-14-15-7-9)16-5-4-13-10(8-16)12(18)19/h6-7,10,13H,1-5,8H2,(H,14,15)(H,18,19)/t10-/m1/s1
InChIKeyUZQWYYUAPQAVND-SNVBAGLBSA-N
XLogP-0.38
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
3-[(3R,4S)-4-(4-methylpiperazin-1-yl)-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-3-yl]propanoic acid
CID 72865859
1-[4-(dimethylamino)azepan-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56908749
1-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 118784290
1-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72893376
methyl 5-[(3aS,6aS)-1-[4-(1H-pyrazol-4-yl)butanoyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-5-oxopentanoate
CID 156584718
1-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72919928
N-benzyl-N-methyl-2-[(3S,4S)-4-phenoxy-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-3-yl]acetamide
CID 110078019
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 118789062
(2R)-4-(pyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 97169281
(1S,5R)-6-benzyl-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70714527
4-(1H-pyrazol-4-yl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 72938712

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid (CID 95555728) is (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCN1.
What is the InChIKey of (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid?
The InChIKey is UZQWYYUAPQAVND-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(3-1-2-9-6-14-15-7-9)16-5-4-13-10(8-16)12(18)19/h6-7,10,13H,1-5,8H2,(H,14,15)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid?
(2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 95555728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).