3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C14H27N5 — CID 82107835

IUPAC3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1C(CN)CN1CCN(C)CC1
InChIInChI=1S/C14H27N5/c1-11-14(12(2)18(4)16-11)13(9-15)10-19-7-5-17(3)6-8-19/h13H,5-10,15H2,1-4H3
InChIKeyJQMJVQGTDMUJQU-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.33
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 82107835) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID82107835
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1C(CN)CN1CCN(C)CC1
InChIInChI=1S/C14H27N5/c1-11-14(12(2)18(4)16-11)13(9-15)10-19-7-5-17(3)6-8-19/h13H,5-10,15H2,1-4H3
InChIKeyJQMJVQGTDMUJQU-UHFFFAOYSA-N
XLogP0.33
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
CID 82107783
(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine
CID 83010272
2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 82095191
3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 83930084
3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 83930058
3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 82090329
6-(1,3,5-trimethylpyrazol-4-yl)octan-3-one
CID 83930077
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
CID 103440773
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 82107835) is 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1C(CN)CN1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is JQMJVQGTDMUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11-14(12(2)18(4)16-11)13(9-15)10-19-7-5-17(3)6-8-19/h13H,5-10,15H2,1-4H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 82107835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).