N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine

C13H18N4 — CID 103568727

IUPACN-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCCc2ccccc2CN)n1
InChIInChI=1S/C13H18N4/c1-17-9-7-13(16-17)15-8-6-11-4-2-3-5-12(11)10-14/h2-5,7,9H,6,8,10,14H2,1H3,(H,15,16)
InChIKeyATCYZCXHYXVQNF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.53
Rot. Bonds5

About N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine

N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine (PubChem CID 103568727) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine
PubChem CID103568727
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCCc2ccccc2CN)n1
InChIInChI=1S/C13H18N4/c1-17-9-7-13(16-17)15-8-6-11-4-2-3-5-12(11)10-14/h2-5,7,9H,6,8,10,14H2,1H3,(H,15,16)
InChIKeyATCYZCXHYXVQNF-UHFFFAOYSA-N
XLogP1.53
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine (CID 103568727) is N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine is Cn1ccc(NCCc2ccccc2CN)n1.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine?
The InChIKey is ATCYZCXHYXVQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-9-7-13(16-17)15-8-6-11-4-2-3-5-12(11)10-14/h2-5,7,9H,6,8,10,14H2,1H3,(H,15,16).
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine?
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 103568727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).