N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine

C14H20N4O — CID 117210316

IUPACN'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
SMILESCOc1cccc(Cc2c(NCCN)cnn2C)c1
InChIInChI=1S/C14H20N4O/c1-18-14(13(10-17-18)16-7-6-15)9-11-4-3-5-12(8-11)19-2/h3-5,8,10,16H,6-7,9,15H2,1-2H3
InChIKeyFYXQDSAQLKEVJF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.39
Rot. Bonds6

About N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine

N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210316) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210316
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
SMILESCOc1cccc(Cc2c(NCCN)cnn2C)c1
InChIInChI=1S/C14H20N4O/c1-18-14(13(10-17-18)16-7-6-15)9-11-4-3-5-12(8-11)19-2/h3-5,8,10,16H,6-7,9,15H2,1-2H3
InChIKeyFYXQDSAQLKEVJF-UHFFFAOYSA-N
XLogP1.39
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
CID 117210311
N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine
CID 117210053
N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210740
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine
CID 105423807
3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 117210212
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210552
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine (CID 117210316) is N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine is COc1cccc(Cc2c(NCCN)cnn2C)c1.
What is the InChIKey of N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is FYXQDSAQLKEVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-14(13(10-17-18)16-7-6-15)9-11-4-3-5-12(8-11)19-2/h3-5,8,10,16H,6-7,9,15H2,1-2H3.
What are the key properties of N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine?
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).