1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine

C14H20N4O — CID 63310356

IUPAC1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine
SMILESCOc1cccc(N(C)CCCn2ccc(N)n2)c1
InChIInChI=1S/C14H20N4O/c1-17(12-5-3-6-13(11-12)19-2)8-4-9-18-10-7-14(15)16-18/h3,5-7,10-11H,4,8-9H2,1-2H3,(H2,15,16)
InChIKeyHEFJKNNEMSKVHL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds6

About 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine

1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine (PubChem CID 63310356) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine
PubChem CID63310356
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine
SMILESCOc1cccc(N(C)CCCn2ccc(N)n2)c1
InChIInChI=1S/C14H20N4O/c1-17(12-5-3-6-13(11-12)19-2)8-4-9-18-10-7-14(15)16-18/h3,5-7,10-11H,4,8-9H2,1-2H3,(H2,15,16)
InChIKeyHEFJKNNEMSKVHL-UHFFFAOYSA-N
XLogP2.00
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
1-[2-(3-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584328
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine (CID 63310356) is 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine is COc1cccc(N(C)CCCn2ccc(N)n2)c1.
What is the InChIKey of 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine?
The InChIKey is HEFJKNNEMSKVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(12-5-3-6-13(11-12)19-2)8-4-9-18-10-7-14(15)16-18/h3,5-7,10-11H,4,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine?
1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine is sourced from PubChem (CID 63310356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).