N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide

C12H18ClN5O2S — CID 19582889

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2nn(CC)cc2Cl)cn1
InChIInChI=1S/C12H18ClN5O2S/c1-4-17-7-10(6-14-17)21(19,20)16(3)9-12-11(13)8-18(5-2)15-12/h6-8H,4-5,9H2,1-3H3
InChIKeyCTFPSUKPTCPJPM-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.59
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide (PubChem CID 19582889) has the molecular formula C12H18ClN5O2S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide
PubChem CID19582889
Molecular FormulaC12H18ClN5O2S
Molecular Weight331.83 g/mol
Exact Mass331.09
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2nn(CC)cc2Cl)cn1
InChIInChI=1S/C12H18ClN5O2S/c1-4-17-7-10(6-14-17)21(19,20)16(3)9-12-11(13)8-18(5-2)15-12/h6-8H,4-5,9H2,1-3H3
InChIKeyCTFPSUKPTCPJPM-UHFFFAOYSA-N
XLogP1.59
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19614898
N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19615053
N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-N,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29095255
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)pyrazole-4-sulfonamide
CID 51853600
N,N-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 132376483
N-[(4-chloro-1-methyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576632
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089487
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 29089856
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089871
N-[(4,5-dichloro-1-methyl-1H-pyrazol-3-yl)methyl]-1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 19614319
N-[(4,5-dichloro-1-methyl-1H-pyrazol-3-yl)methyl]-1-(difluoromethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19614325

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide (CID 19582889) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)Cc2nn(CC)cc2Cl)cn1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide?
The InChIKey is CTFPSUKPTCPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2S/c1-4-17-7-10(6-14-17)21(19,20)16(3)9-12-11(13)8-18(5-2)15-12/h6-8H,4-5,9H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide has a molecular weight of 331.83 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19582889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).