methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate

C19H25N3O3 — CID 71861742

IUPACmethyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(-n3nc(C)cc3C)cc2)CCO1
InChIInChI=1S/C19H25N3O3/c1-14-10-15(2)22(20-14)17-6-4-16(5-7-17)12-21-8-9-25-18(13-21)11-19(23)24-3/h4-7,10,18H,8-9,11-13H2,1-3H3
InChIKeyCVNXBKAHKQZNMJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate

methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate (PubChem CID 71861742) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate
PubChem CID71861742
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2ccc(-n3nc(C)cc3C)cc2)CCO1
InChIInChI=1S/C19H25N3O3/c1-14-10-15(2)22(20-14)17-6-4-16(5-7-17)12-21-8-9-25-18(13-21)11-19(23)24-3/h4-7,10,18H,8-9,11-13H2,1-3H3
InChIKeyCVNXBKAHKQZNMJ-UHFFFAOYSA-N
XLogP2.25
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholin-2-yl]acetate
CID 84587348
methyl 2-[(2S)-4-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)methyl]morpholin-2-yl]acetate
CID 99799285
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-(1,2,4-oxadiazol-3-ylmethyl)morpholin-2-yl]acetate
CID 115537740
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate (CID 71861742) is methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2ccc(-n3nc(C)cc3C)cc2)CCO1.
What is the InChIKey of methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate?
The InChIKey is CVNXBKAHKQZNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-10-15(2)22(20-14)17-6-4-16(5-7-17)12-21-8-9-25-18(13-21)11-19(23)24-3/h4-7,10,18H,8-9,11-13H2,1-3H3.
What are the key properties of methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate?
methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate has a molecular weight of 343.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 71861742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).