(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide

C19H26N4O2 — CID 126443661

IUPAC(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCN2C(=O)Nc2c(C)nn(C(C)C)c2C)c1
InChIInChI=1S/C19H26N4O2/c1-12(2)23-14(4)18(13(3)21-23)20-19(24)22-10-9-17(22)15-7-6-8-16(11-15)25-5/h6-8,11-12,17H,9-10H2,1-5H3,(H,20,24)/t17-/m0/s1
InChIKeyNFHRMRBWSGCNSZ-KRWDZBQOSA-N
MW342.44 g/mol
LogP4.07
Rot. Bonds4

About (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide

(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 126443661) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
PubChem CID126443661
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCN2C(=O)Nc2c(C)nn(C(C)C)c2C)c1
InChIInChI=1S/C19H26N4O2/c1-12(2)23-14(4)18(13(3)21-23)20-19(24)22-10-9-17(22)15-7-6-8-16(11-15)25-5/h6-8,11-12,17H,9-10H2,1-5H3,(H,20,24)/t17-/m0/s1
InChIKeyNFHRMRBWSGCNSZ-KRWDZBQOSA-N
XLogP4.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide with MolForge

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 118762203
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 119065873
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide
CID 126444127
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 55793974
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 146123500
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide (CID 126443661) is (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide is COc1cccc([C@@H]2CCN2C(=O)Nc2c(C)nn(C(C)C)c2C)c1.
What is the InChIKey of (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is NFHRMRBWSGCNSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)23-14(4)18(13(3)21-23)20-19(24)22-10-9-17(22)15-7-6-8-16(11-15)25-5/h6-8,11-12,17H,9-10H2,1-5H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide?
(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 126443661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).