N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine

C16H24N4 — CID 115761423

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCCn1nccc1CNCCCN(C)c1ccccc1
InChIInChI=1S/C16H24N4/c1-3-20-16(10-12-18-20)14-17-11-7-13-19(2)15-8-5-4-6-9-15/h4-6,8-10,12,17H,3,7,11,13-14H2,1-2H3
InChIKeyKKZDVKGOTUHJCU-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.52
Rot. Bonds8

About N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine

N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 115761423) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID115761423
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCCn1nccc1CNCCCN(C)c1ccccc1
InChIInChI=1S/C16H24N4/c1-3-20-16(10-12-18-20)14-17-11-7-13-19(2)15-8-5-4-6-9-15/h4-6,8-10,12,17H,3,7,11,13-14H2,1-2H3
InChIKeyKKZDVKGOTUHJCU-UHFFFAOYSA-N
XLogP2.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine (CID 115761423) is N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine is CCn1nccc1CNCCCN(C)c1ccccc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is KKZDVKGOTUHJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-20-16(10-12-18-20)14-17-11-7-13-19(2)15-8-5-4-6-9-15/h4-6,8-10,12,17H,3,7,11,13-14H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine?
N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 115761423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).