[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone

C21H25N5O2 — CID 122560476

IUPAC[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone
SMILESCOCc1n[nH]c(C)c1-c1cccc(C(=O)N2CC(n3nc(C)cc3C)C2)c1
InChIInChI=1S/C21H25N5O2/c1-13-8-14(2)26(24-13)18-10-25(11-18)21(27)17-7-5-6-16(9-17)20-15(3)22-23-19(20)12-28-4/h5-9,18H,10-12H2,1-4H3,(H,22,23)
InChIKeyPUKRWNANWSUCRC-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.04
Rot. Bonds5

About [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone

[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone (PubChem CID 122560476) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone
PubChem CID122560476
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone
SMILESCOCc1n[nH]c(C)c1-c1cccc(C(=O)N2CC(n3nc(C)cc3C)C2)c1
InChIInChI=1S/C21H25N5O2/c1-13-8-14(2)26(24-13)18-10-25(11-18)21(27)17-7-5-6-16(9-17)20-15(3)22-23-19(20)12-28-4/h5-9,18H,10-12H2,1-4H3,(H,22,23)
InChIKeyPUKRWNANWSUCRC-UHFFFAOYSA-N
XLogP3.04
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone
CID 122569399
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
CID 91788675
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 125439283
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methanone
CID 122561645
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95219998
2-[3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]phenyl]acetonitrile
CID 95606726
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95978658
N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
CID 122556031
(3-hydroxyazetidin-1-yl)-[3-(6-methoxy-2-pyridinyl)phenyl]methanone
CID 118772155
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 155499944

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone (CID 122560476) is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone is COCc1n[nH]c(C)c1-c1cccc(C(=O)N2CC(n3nc(C)cc3C)C2)c1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone?
The InChIKey is PUKRWNANWSUCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-8-14(2)26(24-13)18-10-25(11-18)21(27)17-7-5-6-16(9-17)20-15(3)22-23-19(20)12-28-4/h5-9,18H,10-12H2,1-4H3,(H,22,23).
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone?
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone is sourced from PubChem (CID 122560476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).