N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine

C16H24N4 — CID 43662461

IUPACN-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCc2ccn[nH]2)cc1
InChIInChI=1S/C16H24N4/c1-3-20(4-2)13-15-7-5-14(6-8-15)11-17-12-16-9-10-18-19-16/h5-10,17H,3-4,11-13H2,1-2H3,(H,18,19)
InChIKeyPPTJPTCFWJROKX-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.54
Rot. Bonds8

About N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine

N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine (PubChem CID 43662461) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine
PubChem CID43662461
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(CNCc2ccn[nH]2)cc1
InChIInChI=1S/C16H24N4/c1-3-20(4-2)13-15-7-5-14(6-8-15)11-17-12-16-9-10-18-19-16/h5-10,17H,3-4,11-13H2,1-2H3,(H,18,19)
InChIKeyPPTJPTCFWJROKX-UHFFFAOYSA-N
XLogP2.54
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine (CID 43662461) is N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(CNCc2ccn[nH]2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The InChIKey is PPTJPTCFWJROKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-20(4-2)13-15-7-5-14(6-8-15)11-17-12-16-9-10-18-19-16/h5-10,17H,3-4,11-13H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine?
N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine has a molecular weight of 272.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 43662461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).