N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine

C16H21N3O — CID 62212980

IUPACN-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)C1CCCCO1
InChIInChI=1S/C16H21N3O/c1-17-16(15-9-5-6-10-20-15)13-11-18-19(12-13)14-7-3-2-4-8-14/h2-4,7-8,11-12,15-17H,5-6,9-10H2,1H3
InChIKeyTYEWJLCTRRYDPR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.70
Rot. Bonds4

About N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine

N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 62212980) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID62212980
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(-c2ccccc2)c1)C1CCCCO1
InChIInChI=1S/C16H21N3O/c1-17-16(15-9-5-6-10-20-15)13-11-18-19(12-13)14-7-3-2-4-8-14/h2-4,7-8,11-12,15-17H,5-6,9-10H2,1H3
InChIKeyTYEWJLCTRRYDPR-UHFFFAOYSA-N
XLogP2.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.70
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-phenylmethanamine
CID 62213165
N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 61276580
N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 107177279
N-methyl-1-(2-methylcyclopropyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486036
N-methyl-1-(oxolan-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330681
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
[(4-methylcyclohexyl)-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105311790
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine (CID 62212980) is N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1cnn(-c2ccccc2)c1)C1CCCCO1.
What is the InChIKey of N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is TYEWJLCTRRYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-16(15-9-5-6-10-20-15)13-11-18-19(12-13)14-7-3-2-4-8-14/h2-4,7-8,11-12,15-17H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine?
N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 62212980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).