N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine

C15H19N3O — CID 61276580

IUPACN-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)C1CCOC1
InChIInChI=1S/C15H19N3O/c1-16-15(12-7-8-19-11-12)13-9-17-18(10-13)14-5-3-2-4-6-14/h2-6,9-10,12,15-16H,7-8,11H2,1H3
InChIKeyXMIOXCROFKVZNH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine

N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 61276580) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID61276580
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)C1CCOC1
InChIInChI=1S/C15H19N3O/c1-16-15(12-7-8-19-11-12)13-9-17-18(10-13)14-5-3-2-4-6-14/h2-6,9-10,12,15-16H,7-8,11H2,1H3
InChIKeyXMIOXCROFKVZNH-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 62212980
N-methyl-1-(2-methylcyclopropyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486036
N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 107177279
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
[(4-methylcyclohexyl)-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105311790
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
N-methyl-1-(2-methylpyrazol-3-yl)-1-(oxolan-3-yl)methanamine
CID 65330463
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine (CID 61276580) is N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1cnn(-c2ccccc2)c1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is XMIOXCROFKVZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-15(12-7-8-19-11-12)13-9-17-18(10-13)14-5-3-2-4-6-14/h2-6,9-10,12,15-16H,7-8,11H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.17, 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-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61276580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).