1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide

C18H25FN4O2S — CID 9285888

IUPAC1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(CN(Cc2ccc(F)cc2)C2CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C18H25FN4O2S/c1-13-18(26(24,25)21(3)4)14(2)23(20-13)12-22(17-9-10-17)11-15-5-7-16(19)8-6-15/h5-8,17H,9-12H2,1-4H3
InChIKeyNMCIOOZEGVJMPO-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.51
Rot. Bonds7

About 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide

1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 9285888) has the molecular formula C18H25FN4O2S and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID9285888
Molecular FormulaC18H25FN4O2S
Molecular Weight380.49 g/mol
Exact Mass380.17
IUPAC Name1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(CN(Cc2ccc(F)cc2)C2CC2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C18H25FN4O2S/c1-13-18(26(24,25)21(3)4)14(2)23(20-13)12-22(17-9-10-17)11-15-5-7-16(19)8-6-15/h5-8,17H,9-12H2,1-4H3
InChIKeyNMCIOOZEGVJMPO-UHFFFAOYSA-N
XLogP2.51
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide (CID 9285888) is 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(CN(Cc2ccc(F)cc2)C2CC2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is NMCIOOZEGVJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2S/c1-13-18(26(24,25)21(3)4)14(2)23(20-13)12-22(17-9-10-17)11-15-5-7-16(19)8-6-15/h5-8,17H,9-12H2,1-4H3.
What are the key properties of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 9285888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).