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

C10H20N4 — CID 114556320

IUPACN'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCCn1nccc1CN(C)CCN
InChIInChI=1S/C10H20N4/c1-3-7-14-10(4-6-12-14)9-13(2)8-5-11/h4,6H,3,5,7-9,11H2,1-2H3
InChIKeyKDQSYTSGYMGRRP-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.68
Rot. Bonds6

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

N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 114556320) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID114556320
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCCn1nccc1CN(C)CCN
InChIInChI=1S/C10H20N4/c1-3-7-14-10(4-6-12-14)9-13(2)8-5-11/h4,6H,3,5,7-9,11H2,1-2H3
InChIKeyKDQSYTSGYMGRRP-UHFFFAOYSA-N
XLogP0.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 114556320) is N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine is CCCn1nccc1CN(C)CCN.
What is the InChIKey of N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is KDQSYTSGYMGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-7-14-10(4-6-12-14)9-13(2)8-5-11/h4,6H,3,5,7-9,11H2,1-2H3.
What are the key properties of N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 114556320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).