N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

C10H20N4 — CID 86301376

IUPACN'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCc1[nH]ncc1CN(C)CCN
InChIInChI=1S/C10H20N4/c1-3-4-10-9(7-12-13-10)8-14(2)6-5-11/h7H,3-6,8,11H2,1-2H3,(H,12,13)
InChIKeyPXDBAUNUGBMFEE-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.75
Rot. Bonds6

About N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 86301376) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID86301376
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCc1[nH]ncc1CN(C)CCN
InChIInChI=1S/C10H20N4/c1-3-4-10-9(7-12-13-10)8-14(2)6-5-11/h7H,3-6,8,11H2,1-2H3,(H,12,13)
InChIKeyPXDBAUNUGBMFEE-UHFFFAOYSA-N
XLogP0.75
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (CID 86301376) is N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is CCCc1[nH]ncc1CN(C)CCN.
What is the InChIKey of N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is PXDBAUNUGBMFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-4-10-9(7-12-13-10)8-14(2)6-5-11/h7H,3-6,8,11H2,1-2H3,(H,12,13).
What are the key properties of N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 86301376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).