[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C19H25ClN8O3S — CID 19472557

IUPAC[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(Cn2ccc(C(=O)N3CCN(S(=O)(=O)c4cnn(C)c4C)CC3)n2)c(C)c1Cl
InChIInChI=1S/C19H25ClN8O3S/c1-13-18(20)15(3)28(22-13)12-26-6-5-16(23-26)19(29)25-7-9-27(10-8-25)32(30,31)17-11-21-24(4)14(17)2/h5-6,11H,7-10,12H2,1-4H3
InChIKeyYAOZYHZUCKKEAP-UHFFFAOYSA-N
MW480.98 g/mol
LogP1.04
Rot. Bonds5

About [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 19472557) has the molecular formula C19H25ClN8O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID19472557
Molecular FormulaC19H25ClN8O3S
Molecular Weight480.98 g/mol
Exact Mass480.15
IUPAC Name[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(Cn2ccc(C(=O)N3CCN(S(=O)(=O)c4cnn(C)c4C)CC3)n2)c(C)c1Cl
InChIInChI=1S/C19H25ClN8O3S/c1-13-18(20)15(3)28(22-13)12-26-6-5-16(23-26)19(29)25-7-9-27(10-8-25)32(30,31)17-11-21-24(4)14(17)2/h5-6,11H,7-10,12H2,1-4H3
InChIKeyYAOZYHZUCKKEAP-UHFFFAOYSA-N
XLogP1.04
TPSA111.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19472438
(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479016
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479040
4-[[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride
CID 19272028
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazol-3-yl]methanone
CID 19472419
[1-[(4-bromopyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19472531
1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208172
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527683
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278434
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19264318
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 19472557) is [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is Cc1nn(Cn2ccc(C(=O)N3CCN(S(=O)(=O)c4cnn(C)c4C)CC3)n2)c(C)c1Cl.
What is the InChIKey of [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is YAOZYHZUCKKEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN8O3S/c1-13-18(20)15(3)28(22-13)12-26-6-5-16(23-26)19(29)25-7-9-27(10-8-25)32(30,31)17-11-21-24(4)14(17)2/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 480.98 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 19472557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).