N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine

C15H19N3O — CID 107330681

IUPACN-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccnn1-c1ccccc1)C1CCCO1
InChIInChI=1S/C15H19N3O/c1-16-15(14-8-5-11-19-14)13-9-10-17-18(13)12-6-3-2-4-7-12/h2-4,6-7,9-10,14-16H,5,8,11H2,1H3
InChIKeyNXVGZXOESMAGEK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.31
Rot. Bonds4

About N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine

N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107330681) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107330681
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccnn1-c1ccccc1)C1CCCO1
InChIInChI=1S/C15H19N3O/c1-16-15(14-8-5-11-19-14)13-9-10-17-18(13)12-6-3-2-4-7-12/h2-4,6-7,9-10,14-16H,5,8,11H2,1H3
InChIKeyNXVGZXOESMAGEK-UHFFFAOYSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine (CID 107330681) is N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine is CNC(c1ccnn1-c1ccccc1)C1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is NXVGZXOESMAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-15(14-8-5-11-19-14)13-9-10-17-18(13)12-6-3-2-4-7-12/h2-4,6-7,9-10,14-16H,5,8,11H2,1H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine?
N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107330681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).