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

C10H20N4 — CID 82865963

IUPACN'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1ccn(C)n1
InChIInChI=1S/C10H20N4/c1-3-14(7-4-6-11)9-10-5-8-13(2)12-10/h5,8H,3-4,6-7,9,11H2,1-2H3
InChIKeyDAWLBFSNBDLBKH-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.59
Rot. Bonds6

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

N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 82865963) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
PubChem CID82865963
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)Cc1ccn(C)n1
InChIInChI=1S/C10H20N4/c1-3-14(7-4-6-11)9-10-5-8-13(2)12-10/h5,8H,3-4,6-7,9,11H2,1-2H3
InChIKeyDAWLBFSNBDLBKH-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

2-chloro-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82872228
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 82866083
N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041743
N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82866805
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 82870861
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
N'-ethyl-N'-(imidazo[1,2-a]pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137193
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine (CID 82865963) is N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine is CCN(CCCN)Cc1ccn(C)n1.
What is the InChIKey of N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is DAWLBFSNBDLBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-14(7-4-6-11)9-10-5-8-13(2)12-10/h5,8H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
N'-ethyl-N'-[(1-methylpyrazol-3-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-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 82865963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).