N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine

C11H22N4 — CID 118971389

IUPACN'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCc1nn(C)cc1CN(C)CCN
InChIInChI=1S/C11H22N4/c1-4-5-11-10(9-15(3)13-11)8-14(2)7-6-12/h9H,4-8,12H2,1-3H3
InChIKeyXNTFZQUPWUNEEV-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.76
Rot. Bonds6

About N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine

N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 118971389) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID118971389
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCc1nn(C)cc1CN(C)CCN
InChIInChI=1S/C11H22N4/c1-4-5-11-10(9-15(3)13-11)8-14(2)7-6-12/h9H,4-8,12H2,1-3H3
InChIKeyXNTFZQUPWUNEEV-UHFFFAOYSA-N
XLogP0.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 118971389) is N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine is CCCc1nn(C)cc1CN(C)CCN.
What is the InChIKey of N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is XNTFZQUPWUNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-5-11-10(9-15(3)13-11)8-14(2)7-6-12/h9H,4-8,12H2,1-3H3.
What are the key properties of N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 118971389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).