N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

C10H20N4 — CID 62126875

IUPACN'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1cnn(C)c1
InChIInChI=1S/C10H20N4/c1-3-14(6-4-5-11)9-10-7-12-13(2)8-10/h7-8H,3-6,9,11H2,1-2H3
InChIKeyYNWGETHSEQUGPZ-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.59
Rot. Bonds6

About N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 62126875) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID62126875
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1cnn(C)c1
InChIInChI=1S/C10H20N4/c1-3-14(6-4-5-11)9-10-7-12-13(2)8-10/h7-8H,3-6,9,11H2,1-2H3
InChIKeyYNWGETHSEQUGPZ-UHFFFAOYSA-N
XLogP0.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041743
ethane;4-ethyl-1-methylpyrazole
CID 143829284
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide
CID 54951995
3-[(1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109884
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 62126875) is N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is CCN(CCCN)Cc1cnn(C)c1.
What is the InChIKey of N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is YNWGETHSEQUGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-14(6-4-5-11)9-10-7-12-13(2)8-10/h7-8H,3-6,9,11H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62126875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).