3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol

C14H19N3O — CID 82702929

IUPAC3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
SMILESCCc1nn(Cc2cccc(O)c2)c(CC)c1N
InChIInChI=1S/C14H19N3O/c1-3-12-14(15)13(4-2)17(16-12)9-10-6-5-7-11(18)8-10/h5-8,18H,3-4,9,15H2,1-2H3
InChIKeyVOOSAYQOPAURLN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.34
Rot. Bonds4

About 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol

3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol (PubChem CID 82702929) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
PubChem CID82702929
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
SMILESCCc1nn(Cc2cccc(O)c2)c(CC)c1N
InChIInChI=1S/C14H19N3O/c1-3-12-14(15)13(4-2)17(16-12)9-10-6-5-7-11(18)8-10/h5-8,18H,3-4,9,15H2,1-2H3
InChIKeyVOOSAYQOPAURLN-UHFFFAOYSA-N
XLogP2.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol?
The IUPAC name of 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol (CID 82702929) is 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol?
The canonical SMILES for 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol is CCc1nn(Cc2cccc(O)c2)c(CC)c1N.
What is the InChIKey of 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol?
The InChIKey is VOOSAYQOPAURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-12-14(15)13(4-2)17(16-12)9-10-6-5-7-11(18)8-10/h5-8,18H,3-4,9,15H2,1-2H3.
What are the key properties of 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol?
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol is sourced from PubChem (CID 82702929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).