N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine

C22H25N3O — CID 54579774

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CC1CCCO1
InChIInChI=1S/C22H25N3O/c1-24(17-21-13-8-14-26-21)15-19-16-25(20-11-6-3-7-12-20)23-22(19)18-9-4-2-5-10-18/h2-7,9-12,16,21H,8,13-15,17H2,1H3
InChIKeyWVZMKRXQRZVQIS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.15
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 54579774) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID54579774
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CC1CCCO1
InChIInChI=1S/C22H25N3O/c1-24(17-21-13-8-14-26-21)15-19-16-25(20-11-6-3-7-12-20)23-22(19)18-9-4-2-5-10-18/h2-7,9-12,16,21H,8,13-15,17H2,1H3
InChIKeyWVZMKRXQRZVQIS-UHFFFAOYSA-N
XLogP4.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 45202728
1-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-[[5-methylsulfanyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]methanamine
CID 25293661
1-(1,3-diphenylpyrazol-4-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 37254069
1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 42955406
N-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 26329573
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 45175342
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 119108573
(2R,3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919375
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-pyrazolidin-3-ylmethanamine
CID 85479712
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
CID 60501613
N-[[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 41041101

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine (CID 54579774) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CC1CCCO1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is WVZMKRXQRZVQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24(17-21-13-8-14-26-21)15-19-16-25(20-11-6-3-7-12-20)23-22(19)18-9-4-2-5-10-18/h2-7,9-12,16,21H,8,13-15,17H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 347.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 54579774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).