N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide

C14H22ClN5O2S — CID 51853446

IUPACN-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn([C@H](C)CCNS(=O)(=O)c2cnn(C)c2C)c(C)c1Cl
InChIInChI=1S/C14H22ClN5O2S/c1-9(20-12(4)14(15)10(2)18-20)6-7-17-23(21,22)13-8-16-19(5)11(13)3/h8-9,17H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyXLDYSYJSXAWRCL-SECBINFHSA-N
MW359.88 g/mol
LogP2.12
Rot. Bonds6

About N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide

N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 51853446) has the molecular formula C14H22ClN5O2S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID51853446
Molecular FormulaC14H22ClN5O2S
Molecular Weight359.88 g/mol
Exact Mass359.12
IUPAC NameN-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn([C@H](C)CCNS(=O)(=O)c2cnn(C)c2C)c(C)c1Cl
InChIInChI=1S/C14H22ClN5O2S/c1-9(20-12(4)14(15)10(2)18-20)6-7-17-23(21,22)13-8-16-19(5)11(13)3/h8-9,17H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyXLDYSYJSXAWRCL-SECBINFHSA-N
XLogP2.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51853456
5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)butylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823925
1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853506
1,5-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684332
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62447512
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[3-(4-chloro-3-nitropyrazol-1-yl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19614564
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 95756264
1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
CID 131936491

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 51853446) is N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1nn([C@H](C)CCNS(=O)(=O)c2cnn(C)c2C)c(C)c1Cl.
What is the InChIKey of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is XLDYSYJSXAWRCL-SECBINFHSA-N. The full InChI is InChI=1S/C14H22ClN5O2S/c1-9(20-12(4)14(15)10(2)18-20)6-7-17-23(21,22)13-8-16-19(5)11(13)3/h8-9,17H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 359.88 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51853446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).