N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide

C17H22N4O2 — CID 119065873

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)NCc2cn(C)nc2C)c1
InChIInChI=1S/C17H22N4O2/c1-12-14(11-20(2)19-12)10-18-17(22)21-8-7-16(21)13-5-4-6-15(9-13)23-3/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyDGEVGGJILDZRPX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.39
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 119065873) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
PubChem CID119065873
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)NCc2cn(C)nc2C)c1
InChIInChI=1S/C17H22N4O2/c1-12-14(11-20(2)19-12)10-18-17(22)21-8-7-16(21)13-5-4-6-15(9-13)23-3/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyDGEVGGJILDZRPX-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 126443026
(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 126443661
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 119072220
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 118762203
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94120134
(2S)-N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076830
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 74247323
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide (CID 119065873) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide is COc1cccc(C2CCN2C(=O)NCc2cn(C)nc2C)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is DGEVGGJILDZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-14(11-20(2)19-12)10-18-17(22)21-8-7-16(21)13-5-4-6-15(9-13)23-3/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,18,22).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 119065873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).