2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol

C7H13N3O — CID 82651857

IUPAC2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN
InChIInChI=1S/C7H13N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-4,8H2,1H3
InChIKeyYVAJCRXLDZAPGJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.36
Rot. Bonds3

About 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol

2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol (PubChem CID 82651857) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol
PubChem CID82651857
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN
InChIInChI=1S/C7H13N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-4,8H2,1H3
InChIKeyYVAJCRXLDZAPGJ-UHFFFAOYSA-N
XLogP-0.36
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol (CID 82651857) is 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN.
What is the InChIKey of 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol?
The InChIKey is YVAJCRXLDZAPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-4,8H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol?
2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol has a molecular weight of 155.20 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 82651857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).