(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid

C16H17N3O4 — CID 129415319

IUPAC(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
SMILESCc1cnn(-c2ccc(C(=O)N3CCO[C@@H](C(=O)O)C3)cc2)c1
InChIInChI=1S/C16H17N3O4/c1-11-8-17-19(9-11)13-4-2-12(3-5-13)15(20)18-6-7-23-14(10-18)16(21)22/h2-5,8-9,14H,6-7,10H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeySOCUOGQMRCQSMZ-CQSZACIVSA-N
MW315.33 g/mol
LogP1.11
Rot. Bonds3

About (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid

(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 129415319) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
PubChem CID129415319
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
SMILESCc1cnn(-c2ccc(C(=O)N3CCO[C@@H](C(=O)O)C3)cc2)c1
InChIInChI=1S/C16H17N3O4/c1-11-8-17-19(9-11)13-4-2-12(3-5-13)15(20)18-6-7-23-14(10-18)16(21)22/h2-5,8-9,14H,6-7,10H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeySOCUOGQMRCQSMZ-CQSZACIVSA-N
XLogP1.11
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240073
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-[4-(trifluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 126795264
4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 126793187
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657
4-[4-(ethylsulfanylmethyl)benzoyl]morpholine-2-carboxylic acid
CID 119238723
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 99698437
(2-ethylmorpholin-4-yl)-(1-pyridin-4-ylpyrazol-4-yl)methanone
CID 154797843

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid (CID 129415319) is (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid is Cc1cnn(-c2ccc(C(=O)N3CCO[C@@H](C(=O)O)C3)cc2)c1.
What is the InChIKey of (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is SOCUOGQMRCQSMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-8-17-19(9-11)13-4-2-12(3-5-13)15(20)18-6-7-23-14(10-18)16(21)22/h2-5,8-9,14H,6-7,10H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid?
(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129415319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).