N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

C15H27BrN4 — CID 106639460

IUPACN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCc1nn(C)c(CN(CC)CC2CCCNC2)c1Br
InChIInChI=1S/C15H27BrN4/c1-4-13-15(16)14(19(3)18-13)11-20(5-2)10-12-7-6-8-17-9-12/h12,17H,4-11H2,1-3H3
InChIKeyWRCRFXDHJLCCKC-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.57
Rot. Bonds6

About N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106639460) has the molecular formula C15H27BrN4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106639460
Molecular FormulaC15H27BrN4
Molecular Weight343.31 g/mol
Exact Mass342.14
IUPAC NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCc1nn(C)c(CN(CC)CC2CCCNC2)c1Br
InChIInChI=1S/C15H27BrN4/c1-4-13-15(16)14(19(3)18-13)11-20(5-2)10-12-7-6-8-17-9-12/h12,17H,4-11H2,1-3H3
InChIKeyWRCRFXDHJLCCKC-UHFFFAOYSA-N
XLogP2.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624449
4-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 83262137
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616114
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79703289
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638595
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624626
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106624469
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106639131

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 106639460) is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCc1nn(C)c(CN(CC)CC2CCCNC2)c1Br.
What is the InChIKey of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is WRCRFXDHJLCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4/c1-4-13-15(16)14(19(3)18-13)11-20(5-2)10-12-7-6-8-17-9-12/h12,17H,4-11H2,1-3H3.
What are the key properties of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 343.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106639460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).