N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine

C18H25N3O — CID 77095526

IUPACN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCc1cc(C)n(-c2cccc(CN(C)CC3CCOC3)c2)n1
InChIInChI=1S/C18H25N3O/c1-14-9-15(2)21(19-14)18-6-4-5-16(10-18)11-20(3)12-17-7-8-22-13-17/h4-6,9-10,17H,7-8,11-13H2,1-3H3
InChIKeyVTFMBCXYELPPNV-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.96
Rot. Bonds5

About N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine

N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 77095526) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID77095526
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCc1cc(C)n(-c2cccc(CN(C)CC3CCOC3)c2)n1
InChIInChI=1S/C18H25N3O/c1-14-9-15(2)21(19-14)18-6-4-5-16(10-18)11-20(3)12-17-7-8-22-13-17/h4-6,9-10,17H,7-8,11-13H2,1-3H3
InChIKeyVTFMBCXYELPPNV-UHFFFAOYSA-N
XLogP2.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
CID 97160402
(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 99937969
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-methyl-2-(6-methyl-2-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 131932722
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 75471009
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95283465
N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 164640158
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 121499311
N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 42796160

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine (CID 77095526) is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine is Cc1cc(C)n(-c2cccc(CN(C)CC3CCOC3)c2)n1.
What is the InChIKey of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is VTFMBCXYELPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-9-15(2)21(19-14)18-6-4-5-16(10-18)11-20(3)12-17-7-8-22-13-17/h4-6,9-10,17H,7-8,11-13H2,1-3H3.
What are the key properties of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine?
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 299.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 77095526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).