N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C16H24N4O — CID 86303066

IUPACN'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCC(C)Oc1ccc(-c2[nH]ncc2CN(C)CCN)cc1
InChIInChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)
InChIKeyTXSFQHHRYLAEMB-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.25
Rot. Bonds7

About N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 86303066) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID86303066
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCC(C)Oc1ccc(-c2[nH]ncc2CN(C)CCN)cc1
InChIInChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)
InChIKeyTXSFQHHRYLAEMB-UHFFFAOYSA-N
XLogP2.25
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 86303066) is N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CC(C)Oc1ccc(-c2[nH]ncc2CN(C)CCN)cc1.
What is the InChIKey of N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is TXSFQHHRYLAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19).
What are the key properties of N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 86303066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).