1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

C16H24N4 — CID 103569668

IUPAC1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H24N4/c1-3-20-13-15(12-18-20)16(11-17)19(2)10-9-14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11,17H2,1-2H3
InChIKeyNRDIKEBKYKMHDJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.08
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 103569668) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID103569668
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)CCc2ccccc2)cn1
InChIInChI=1S/C16H24N4/c1-3-20-13-15(12-18-20)16(11-17)19(2)10-9-14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11,17H2,1-2H3
InChIKeyNRDIKEBKYKMHDJ-UHFFFAOYSA-N
XLogP2.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (CID 103569668) is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is CCn1cc(C(CN)N(C)CCc2ccccc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is NRDIKEBKYKMHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-20-13-15(12-18-20)16(11-17)19(2)10-9-14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11,17H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 103569668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).