N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine

C12H24N4 — CID 82870861

IUPACN'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)Cc1ccn(C)n1
InChIInChI=1S/C12H24N4/c1-4-12(5-2)16(9-7-13)10-11-6-8-15(3)14-11/h6,8,12H,4-5,7,9-10,13H2,1-3H3
InChIKeyPZAMAUHGYPVQCV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.37
Rot. Bonds7

About N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine

N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 82870861) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
PubChem CID82870861
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)Cc1ccn(C)n1
InChIInChI=1S/C12H24N4/c1-4-12(5-2)16(9-7-13)10-11-6-8-15(3)14-11/h6,8,12H,4-5,7,9-10,13H2,1-3H3
InChIKeyPZAMAUHGYPVQCV-UHFFFAOYSA-N
XLogP1.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 82866083
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773175
2-N,2-diethyl-2-N-[(1-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 82865540
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
CID 82865398
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 82871800
2-chloro-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82872228
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82866805

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine (CID 82870861) is N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCN)Cc1ccn(C)n1.
What is the InChIKey of N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is PZAMAUHGYPVQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-12(5-2)16(9-7-13)10-11-6-8-15(3)14-11/h6,8,12H,4-5,7,9-10,13H2,1-3H3.
What are the key properties of N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine?
N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 82870861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).