2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine

C10H18N4 — CID 130569459

IUPAC2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine
SMILESCC1(C)CNCCN1Cc1cn[nH]c1
InChIInChI=1S/C10H18N4/c1-10(2)8-11-3-4-14(10)7-9-5-12-13-6-9/h5-6,11H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyMZMHNVDCUMPRNN-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.59
Rot. Bonds2

About 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine

2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine (PubChem CID 130569459) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine
PubChem CID130569459
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine
SMILESCC1(C)CNCCN1Cc1cn[nH]c1
InChIInChI=1S/C10H18N4/c1-10(2)8-11-3-4-14(10)7-9-5-12-13-6-9/h5-6,11H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyMZMHNVDCUMPRNN-UHFFFAOYSA-N
XLogP0.59
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
1-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylpiperazine
CID 115741515
2,2-dimethyl-1-[(4-phenylphenyl)methyl]piperazine
CID 65462302
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120
2,2-dimethyl-1-[(4-nitrophenyl)methyl]piperazine
CID 65462102
(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
CID 130569472
6-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline
CID 105379001
1-[(4-chlorophenyl)methyl]-2,2-dimethyl-1,4-diazepane
CID 82245127
1-ethyl-2,2-dimethylpiperazine;dihydrochloride
CID 53398810
2,2-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperazine
CID 65460707
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpiperazine
CID 65463380
1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine
CID 82308187

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine (CID 130569459) is 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine is CC1(C)CNCCN1Cc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
The InChIKey is MZMHNVDCUMPRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2)8-11-3-4-14(10)7-9-5-12-13-6-9/h5-6,11H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine?
2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1H-pyrazol-4-ylmethyl)piperazine is sourced from PubChem (CID 130569459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).