N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine

C9H18N4 — CID 103102226

IUPACN'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)[nH]n1
InChIInChI=1S/C9H18N4/c1-3-13(5-4-10)7-9-6-8(2)11-12-9/h6H,3-5,7,10H2,1-2H3,(H,11,12)
InChIKeyMGGRBHRDKNDYIB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.50
Rot. Bonds5

About N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 103102226) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID103102226
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)[nH]n1
InChIInChI=1S/C9H18N4/c1-3-13(5-4-10)7-9-6-8(2)11-12-9/h6H,3-5,7,10H2,1-2H3,(H,11,12)
InChIKeyMGGRBHRDKNDYIB-UHFFFAOYSA-N
XLogP0.50
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine (CID 103102226) is N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1cc(C)[nH]n1.
What is the InChIKey of N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is MGGRBHRDKNDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-13(5-4-10)7-9-6-8(2)11-12-9/h6H,3-5,7,10H2,1-2H3,(H,11,12).
What are the key properties of N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(5-methyl-1H-pyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103102226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).