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

C15H28N4 — CID 106624449

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCc1nn(C)cc1CN(CC)CC1CCCNC1
InChIInChI=1S/C15H28N4/c1-4-15-14(11-18(3)17-15)12-19(5-2)10-13-7-6-8-16-9-13/h11,13,16H,4-10,12H2,1-3H3
InChIKeyFWKPTIXXQARHHJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.80
Rot. Bonds6

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106624449) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106624449
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCc1nn(C)cc1CN(CC)CC1CCCNC1
InChIInChI=1S/C15H28N4/c1-4-15-14(11-18(3)17-15)12-19(5-2)10-13-7-6-8-16-9-13/h11,13,16H,4-10,12H2,1-3H3
InChIKeyFWKPTIXXQARHHJ-UHFFFAOYSA-N
XLogP1.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625379
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639460
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604750
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 128964578
N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104870097
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106624469

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 106624449) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCc1nn(C)cc1CN(CC)CC1CCCNC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is FWKPTIXXQARHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-15-14(11-18(3)17-15)12-19(5-2)10-13-7-6-8-16-9-13/h11,13,16H,4-10,12H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106624449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).