1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide

C14H21F2N5O2S — CID 19614323

IUPAC1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(CC(C)CNS(=O)(=O)c2cnn(C(F)F)c2C)n1
InChIInChI=1S/C14H21F2N5O2S/c1-9(8-20-11(3)5-10(2)19-20)6-18-24(22,23)13-7-17-21(12(13)4)14(15)16/h5,7,9,14,18H,6,8H2,1-4H3
InChIKeyFALYIKMQXNSDFL-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.01
Rot. Bonds7

About 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 19614323) has the molecular formula C14H21F2N5O2S and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide
PubChem CID19614323
Molecular FormulaC14H21F2N5O2S
Molecular Weight361.42 g/mol
Exact Mass361.14
IUPAC Name1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide
SMILESCc1cc(C)n(CC(C)CNS(=O)(=O)c2cnn(C(F)F)c2C)n1
InChIInChI=1S/C14H21F2N5O2S/c1-9(8-20-11(3)5-10(2)19-20)6-18-24(22,23)13-7-17-21(12(13)4)14(15)16/h5,7,9,14,18H,6,8H2,1-4H3
InChIKeyFALYIKMQXNSDFL-UHFFFAOYSA-N
XLogP2.01
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide (CID 19614323) is 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide is Cc1cc(C)n(CC(C)CNS(=O)(=O)c2cnn(C(F)F)c2C)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is FALYIKMQXNSDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O2S/c1-9(8-20-11(3)5-10(2)19-20)6-18-24(22,23)13-7-17-21(12(13)4)14(15)16/h5,7,9,14,18H,6,8H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19614323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).