2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid

C10H14N4O3 — CID 122573832

IUPAC2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid
SMILESCC1(C)C(=O)N(c2cn[nH]c2)CCN1C(=O)O
InChIInChI=1S/C10H14N4O3/c1-10(2)8(15)13(7-5-11-12-6-7)3-4-14(10)9(16)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,16,17)
InChIKeyPEWCUOGOSVYEFY-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.51
Rot. Bonds1

About 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid

2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid (PubChem CID 122573832) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid
PubChem CID122573832
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid
SMILESCC1(C)C(=O)N(c2cn[nH]c2)CCN1C(=O)O
InChIInChI=1S/C10H14N4O3/c1-10(2)8(15)13(7-5-11-12-6-7)3-4-14(10)9(16)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,16,17)
InChIKeyPEWCUOGOSVYEFY-UHFFFAOYSA-N
XLogP0.51
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-yl-N-(1H-pyrazol-4-yl)acetamide
CID 20784696
ethyl 4-(1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 69858700
3,3-Dimethyl-1-(1h-pyrazol-4-yl)-2-piperazinone
CID 122573920
tert-butyl 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 122573992
1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 123337139
N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide
CID 123420183
tert-butyl(1H-pyrazol-4-yl)carbamic acid
CID 132255092
tert-butyl 4-(1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 134398304
tert-butyl 3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 163279596
1-(1H-pyrazol-4-yl)piperazin-2-one
CID 177338863
2-acetamido-N-(1H-pyrazol-4-yl)propanamide
CID 43429400
2,2-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
CID 43429563

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid (CID 122573832) is 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid is CC1(C)C(=O)N(c2cn[nH]c2)CCN1C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid?
The InChIKey is PEWCUOGOSVYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-10(2)8(15)13(7-5-11-12-6-7)3-4-14(10)9(16)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,16,17).
What are the key properties of 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid?
2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-4-(1H-pyrazol-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 122573832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).