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

C11H22N4 — CID 82865868

IUPACN-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)Cc1ccn(C)n1
InChIInChI=1S/C11H22N4/c1-4-7-15(9-6-12-2)10-11-5-8-14(3)13-11/h5,8,12H,4,6-7,9-10H2,1-3H3
InChIKeyBURVNDMXYHSDFA-UHFFFAOYSA-N
MW210.33 g/mol
LogP0.85
Rot. Bonds7

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

N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 82865868) has the molecular formula C11H22N4 and a molecular weight of 210.33 g/mol. Its IUPAC name is N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine
PubChem CID82865868
Molecular FormulaC11H22N4
Molecular Weight210.33 g/mol
Exact Mass210.18
IUPAC NameN-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)Cc1ccn(C)n1
InChIInChI=1S/C11H22N4/c1-4-7-15(9-6-12-2)10-11-5-8-14(3)13-11/h5,8,12H,4,6-7,9-10H2,1-3H3
InChIKeyBURVNDMXYHSDFA-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 50.85
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-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107489191
2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801479
N,3,3-trimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882063
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801478
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
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-(butoxymethyl)-1-methylpyrazole
CID 122170488

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine (CID 82865868) is N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine is CCCN(CCNC)Cc1ccn(C)n1.
What is the InChIKey of N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is BURVNDMXYHSDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-7-15(9-6-12-2)10-11-5-8-14(3)13-11/h5,8,12H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine?
N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 210.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(1-methylpyrazol-3-yl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 82865868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).