1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine

C12H24N4 — CID 82877837

IUPAC1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1ccn(C)n1)CN(C)C
InChIInChI=1S/C12H24N4/c1-5-7-13-12(10-15(2)3)9-11-6-8-16(4)14-11/h6,8,12-13H,5,7,9-10H2,1-4H3
InChIKeyFBQJEQOUPDOJMS-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.89
Rot. Bonds7

About 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine

1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine (PubChem CID 82877837) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
PubChem CID82877837
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1ccn(C)n1)CN(C)C
InChIInChI=1S/C12H24N4/c1-5-7-13-12(10-15(2)3)9-11-6-8-16(4)14-11/h6,8,12-13H,5,7,9-10H2,1-4H3
InChIKeyFBQJEQOUPDOJMS-UHFFFAOYSA-N
XLogP0.89
TPSA33.09 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 82876479
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 82876946
1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115998309
1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine (CID 82877837) is 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine is CCCNC(Cc1ccn(C)n1)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine?
The InChIKey is FBQJEQOUPDOJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-7-13-12(10-15(2)3)9-11-6-8-16(4)14-11/h6,8,12-13H,5,7,9-10H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine?
1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 82877837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).