N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide

C10H12FN5O2S — CID 103298532

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide
SMILESCn1cc(CN)c(NS(=O)(=O)c2ncccc2F)n1
InChIInChI=1S/C10H12FN5O2S/c1-16-6-7(5-12)9(14-16)15-19(17,18)10-8(11)3-2-4-13-10/h2-4,6H,5,12H2,1H3,(H,14,15)
InChIKeyBOEWVOLDVMCLIG-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.21
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide (PubChem CID 103298532) has the molecular formula C10H12FN5O2S and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide
PubChem CID103298532
Molecular FormulaC10H12FN5O2S
Molecular Weight285.30 g/mol
Exact Mass285.07
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide
SMILESCn1cc(CN)c(NS(=O)(=O)c2ncccc2F)n1
InChIInChI=1S/C10H12FN5O2S/c1-16-6-7(5-12)9(14-16)15-19(17,18)10-8(11)3-2-4-13-10/h2-4,6H,5,12H2,1H3,(H,14,15)
InChIKeyBOEWVOLDVMCLIG-UHFFFAOYSA-N
XLogP0.21
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl)benzenesulfonamide
CID 176453091
1,3-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 19683254
[(1-Ethylpyrazol-4-yl)sulfonyl](3-pyridylmethyl)amine
CID 6465525
1,3-dimethyl-N-(3-pyridinylmethyl)-1H-pyrazole-4-sulfonamide
CID 6467759
1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 45822243
1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
CID 45822331
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 45822461
N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 47089773
4-bromo-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-5-sulfonamide
CID 100715936
2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide
CID 125435874
N-(2,5-dimethylpyrazol-3-yl)-4-methylpyridine-3-sulfonamide
CID 127267507
6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 136573761

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide (CID 103298532) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide is Cn1cc(CN)c(NS(=O)(=O)c2ncccc2F)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is BOEWVOLDVMCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2S/c1-16-6-7(5-12)9(14-16)15-19(17,18)10-8(11)3-2-4-13-10/h2-4,6H,5,12H2,1H3,(H,14,15).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 285.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).