(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone

C18H21N3O2 — CID 51487785

IUPAC(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCO1
InChIInChI=1S/C18H21N3O2/c1-13-12-20(9-10-23-13)18(22)17-11-16(14-7-8-14)19-21(17)15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3/t13-/m1/s1
InChIKeyBCGKFGYTULARSE-CYBMUJFWSA-N
MW311.38 g/mol
LogP2.61
Rot. Bonds3

About (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone

(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 51487785) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID51487785
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCO1
InChIInChI=1S/C18H21N3O2/c1-13-12-20(9-10-23-13)18(22)17-11-16(14-7-8-14)19-21(17)15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3/t13-/m1/s1
InChIKeyBCGKFGYTULARSE-CYBMUJFWSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687
[(2S)-2-methylmorpholin-4-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 51448540
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 9464011
4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
CID 31096480
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
[4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413204
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 31482999
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 8850204
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 9363213
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone (CID 51487785) is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCO1.
What is the InChIKey of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is BCGKFGYTULARSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-12-20(9-10-23-13)18(22)17-11-16(14-7-8-14)19-21(17)15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 51487785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).