1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine

C9H18N4 — CID 61438748

IUPAC1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCC(N)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C9H18N4/c1-8(10)5-12(2)6-9-4-11-13(3)7-9/h4,7-8H,5-6,10H2,1-3H3
InChIKeyYFZXCRHRFPRMLT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.20
Rot. Bonds4

About 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine

1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 61438748) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
PubChem CID61438748
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCC(N)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C9H18N4/c1-8(10)5-12(2)6-9-4-11-13(3)7-9/h4,7-8H,5-6,10H2,1-3H3
InChIKeyYFZXCRHRFPRMLT-UHFFFAOYSA-N
XLogP0.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
1-(4-ethylphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438554
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
2-(2-aminopropyl)-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 63815488
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
CID 104501541
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (CID 61438748) is 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine is CC(N)CN(C)Cc1cnn(C)c1.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is YFZXCRHRFPRMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-8(10)5-12(2)6-9-4-11-13(3)7-9/h4,7-8H,5-6,10H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 61438748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).