N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C16H24N4O — CID 121342334

IUPACN'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOc1ccc(-c2[nH]ncc2CN(C)CCNC)cc1
InChIInChI=1S/C16H24N4O/c1-4-21-15-7-5-13(6-8-15)16-14(11-18-19-16)12-20(3)10-9-17-2/h5-8,11,17H,4,9-10,12H2,1-3H3,(H,18,19)
InChIKeyAHBGFVBNHAXGOD-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.13
Rot. Bonds8

About N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 121342334) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID121342334
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOc1ccc(-c2[nH]ncc2CN(C)CCNC)cc1
InChIInChI=1S/C16H24N4O/c1-4-21-15-7-5-13(6-8-15)16-14(11-18-19-16)12-20(3)10-9-17-2/h5-8,11,17H,4,9-10,12H2,1-3H3,(H,18,19)
InChIKeyAHBGFVBNHAXGOD-UHFFFAOYSA-N
XLogP2.13
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 121342334) is N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCOc1ccc(-c2[nH]ncc2CN(C)CCNC)cc1.
What is the InChIKey of N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is AHBGFVBNHAXGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-21-15-7-5-13(6-8-15)16-14(11-18-19-16)12-20(3)10-9-17-2/h5-8,11,17H,4,9-10,12H2,1-3H3,(H,18,19).
What are the key properties of N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121342334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).