1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium

C14H23N6O2+ — CID 134499790

IUPAC1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium
SMILESCC1CN(c2c([N+]#N)cnn2C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N6O2/c1-10-9-19(12-11(17-15)8-16-18(12)5)6-7-20(10)13(21)22-14(2,3)4/h8,10H,6-7,9H2,1-5H3/q+1
InChIKeyPMVPKOLTGKJMNC-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.35
Rot. Bonds1

About 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium

1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium (PubChem CID 134499790) has the molecular formula C14H23N6O2+ and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium.

Molecular Properties

Compound Name1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium
PubChem CID134499790
Molecular FormulaC14H23N6O2+
Molecular Weight307.38 g/mol
Exact Mass307.19
IUPAC Name1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium
SMILESCC1CN(c2c([N+]#N)cnn2C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23N6O2/c1-10-9-19(12-11(17-15)8-16-18(12)5)6-7-20(10)13(21)22-14(2,3)4/h8,10H,6-7,9H2,1-5H3/q+1
InChIKeyPMVPKOLTGKJMNC-UHFFFAOYSA-N
XLogP2.35
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 89484186
tert-butyl (2S)-2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 134500707
tert-butyl 2-methyl-4-[4-nitroso-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]piperazine-1-carboxylate
CID 89484180
tert-butyl (2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 167442296
tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
tert-butyl (2R)-4-(6-chloro-2-methylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499251
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
tert-butyl (2S)-4-(6-amino-5-methyl-3-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 168888213
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 67371513
tert-butyl 4-(2,4-dichloropyrimidin-5-yl)-2-methylpiperazine-1-carboxylate
CID 118485094
tert-butyl (2S)-4-(3,5-difluorophenyl)-2-methylpiperazine-1-carboxylate
CID 134498190
tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium?
The IUPAC name of 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium (CID 134499790) is 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium.
What is the SMILES notation for 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium?
The canonical SMILES for 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium is CC1CN(c2c([N+]#N)cnn2C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium?
The InChIKey is PMVPKOLTGKJMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N6O2/c1-10-9-19(12-11(17-15)8-16-18(12)5)6-7-20(10)13(21)22-14(2,3)4/h8,10H,6-7,9H2,1-5H3/q+1.
What are the key properties of 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium?
1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium has a molecular weight of 307.38 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazole-4-diazonium is sourced from PubChem (CID 134499790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).