N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine

C15H29N5 — CID 79658937

IUPACN-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)C1CN(C)CCN1C
InChIInChI=1S/C15H29N5/c1-5-9-20-13(7-8-17-20)15(16-6-2)14-12-18(3)10-11-19(14)4/h7-8,14-16H,5-6,9-12H2,1-4H3
InChIKeyRIMMLWRBNCWKBR-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.19
Rot. Bonds6

About N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine

N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 79658937) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID79658937
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)C1CN(C)CCN1C
InChIInChI=1S/C15H29N5/c1-5-9-20-13(7-8-17-20)15(16-6-2)14-12-18(3)10-11-19(14)4/h7-8,14-16H,5-6,9-12H2,1-4H3
InChIKeyRIMMLWRBNCWKBR-UHFFFAOYSA-N
XLogP1.19
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688546
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 79960941
N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
CID 107360102
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-[(5-bromo-3-methyltriazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106462720
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
[(2-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105234801

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine (CID 79658937) is N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1C(NCC)C1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is RIMMLWRBNCWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-9-20-13(7-8-17-20)15(16-6-2)14-12-18(3)10-11-19(14)4/h7-8,14-16H,5-6,9-12H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 79658937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).