[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C20H27N5O4S — CID 90506482

IUPAC[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H27N5O4S/c1-15-19(16(2)22-21-15)23-7-9-24(10-8-23)20(26)17-3-5-18(6-4-17)30(27,28)25-11-13-29-14-12-25/h3-6H,7-14H2,1-2H3,(H,21,22)
InChIKeyQIEKDOOSFYRNNT-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.01
Rot. Bonds4

About [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 90506482) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID90506482
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H27N5O4S/c1-15-19(16(2)22-21-15)23-7-9-24(10-8-23)20(26)17-3-5-18(6-4-17)30(27,28)25-11-13-29-14-12-25/h3-6H,7-14H2,1-2H3,(H,21,22)
InChIKeyQIEKDOOSFYRNNT-UHFFFAOYSA-N
XLogP1.01
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90506480
1-(4-bromophenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507115
(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506426
[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110658417
[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41116470
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 41116812
5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628864
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 16883540
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
(4-ethylphenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone
CID 26559343
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 90506482) is [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is Cc1n[nH]c(C)c1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is QIEKDOOSFYRNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-15-19(16(2)22-21-15)23-7-9-24(10-8-23)20(26)17-3-5-18(6-4-17)30(27,28)25-11-13-29-14-12-25/h3-6H,7-14H2,1-2H3,(H,21,22).
What are the key properties of [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 433.53 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 90506482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).