4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine

C13H18N4O — CID 174696438

IUPAC4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine
SMILESCCOCc1[nH]nc(N)c1-c1ccc(CN)cc1
InChIInChI=1S/C13H18N4O/c1-2-18-8-11-12(13(15)17-16-11)10-5-3-9(7-14)4-6-10/h3-6H,2,7-8,14H2,1H3,(H3,15,16,17)
InChIKeyNWVWQEIZINNVTO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds5

About 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine

4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine (PubChem CID 174696438) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine
PubChem CID174696438
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine
SMILESCCOCc1[nH]nc(N)c1-c1ccc(CN)cc1
InChIInChI=1S/C13H18N4O/c1-2-18-8-11-12(13(15)17-16-11)10-5-3-9(7-14)4-6-10/h3-6H,2,7-8,14H2,1H3,(H3,15,16,17)
InChIKeyNWVWQEIZINNVTO-UHFFFAOYSA-N
XLogP1.65
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine (CID 174696438) is 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine is CCOCc1[nH]nc(N)c1-c1ccc(CN)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine?
The InChIKey is NWVWQEIZINNVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-18-8-11-12(13(15)17-16-11)10-5-3-9(7-14)4-6-10/h3-6H,2,7-8,14H2,1H3,(H3,15,16,17).
What are the key properties of 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine?
4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-5-(ethoxymethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 174696438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).