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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Related Compounds

N-methyl-1-(2-phenylpyrazol-3-yl)-1-(thian-2-yl)methanamine
CID 107330811
(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine
CID 155718502
N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 62212980
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
N-[(2-phenylpyrazol-3-yl)-(thian-2-yl)methyl]ethanamine
CID 107330812
4-[bromo(oxolan-2-yl)methyl]-5-fluoro-1-phenylpyrazole
CID 114244164
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
CID 124705823
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 65352324
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114654609
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105046718

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).