(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone

C17H20ClN3O2 — CID 95139427

IUPAC(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C17H20ClN3O2/c1-12-10-20(8-9-23-12)17(22)15-13(2)19-21(16(15)18)11-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1
InChIKeyLWIZCQOQHSUJCV-LBPRGKRZSA-N
MW333.82 g/mol
LogP2.75
Rot. Bonds3

About (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 95139427) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID95139427
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C17H20ClN3O2/c1-12-10-20(8-9-23-12)17(22)15-13(2)19-21(16(15)18)11-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1
InChIKeyLWIZCQOQHSUJCV-LBPRGKRZSA-N
XLogP2.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 95900961
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 55564176
2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
CID 41247250
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56544545
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
(2-morpholin-4-yl-2-oxoethyl) 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7557432
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 26290398
(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646074

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (CID 95139427) is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCO[C@@H](C)C1.
What is the InChIKey of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is LWIZCQOQHSUJCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-10-20(8-9-23-12)17(22)15-13(2)19-21(16(15)18)11-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone?
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 333.82 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 95139427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).