2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid

C15H21N3O4 — CID 120552577

IUPAC2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)C1CC1C(=O)O
InChIInChI=1S/C15H21N3O4/c1-8-13(9(2)17(3)16-8)12-7-22-5-4-18(12)14(19)10-6-11(10)15(20)21/h10-12H,4-7H2,1-3H3,(H,20,21)
InChIKeyPUXRNCVJPVBCAQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.66
Rot. Bonds3

About 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid

2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 120552577) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID120552577
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)C1CC1C(=O)O
InChIInChI=1S/C15H21N3O4/c1-8-13(9(2)17(3)16-8)12-7-22-5-4-18(12)14(19)10-6-11(10)15(20)21/h10-12H,4-7H2,1-3H3,(H,20,21)
InChIKeyPUXRNCVJPVBCAQ-UHFFFAOYSA-N
XLogP0.66
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97256154
(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 120874002
3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 120874001
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 127734895
1H-indazol-7-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471350
2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 155949674
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471278
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid (CID 120552577) is 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid is Cc1nn(C)c(C)c1C1COCCN1C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is PUXRNCVJPVBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-8-13(9(2)17(3)16-8)12-7-22-5-4-18(12)14(19)10-6-11(10)15(20)21/h10-12H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120552577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).