1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine

C11H20N4 — CID 112709168

IUPAC1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
SMILESCn1ccc(C(C)(C)N2CCNCC2)n1
InChIInChI=1S/C11H20N4/c1-11(2,10-4-7-14(3)13-10)15-8-5-12-6-9-15/h4,7,12H,5-6,8-9H2,1-3H3
InChIKeyXUNCLNLELGGQSZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.56
Rot. Bonds2

About 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine

1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine (PubChem CID 112709168) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
PubChem CID112709168
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine
SMILESCn1ccc(C(C)(C)N2CCNCC2)n1
InChIInChI=1S/C11H20N4/c1-11(2,10-4-7-14(3)13-10)15-8-5-12-6-9-15/h4,7,12H,5-6,8-9H2,1-3H3
InChIKeyXUNCLNLELGGQSZ-UHFFFAOYSA-N
XLogP0.56
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 103121926
2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 116891623
3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130270
7-methyl-2-(2-piperazin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989777
1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
CID 174680413
4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 63342649
1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
CID 95480576
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
CID 82292772
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-yl]piperazine
CID 95479293
1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
CID 82298206
2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
CID 130529005
1-[2-(4-propan-2-yloxyphenyl)propan-2-yl]piperazine
CID 82303005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine (CID 112709168) is 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine is Cn1ccc(C(C)(C)N2CCNCC2)n1.
What is the InChIKey of 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine?
The InChIKey is XUNCLNLELGGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,10-4-7-14(3)13-10)15-8-5-12-6-9-15/h4,7,12H,5-6,8-9H2,1-3H3.
What are the key properties of 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine?
1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-3-yl)propan-2-yl]piperazine is sourced from PubChem (CID 112709168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).