N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride

C14H16ClF3N4O3S — CID 154895687

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCc1cc2n(n1)CCNC2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O3S.ClH/c15-14(16,17)24-12-1-3-13(4-2-12)25(22,23)19-8-10-7-11-9-18-5-6-21(11)20-10;/h1-4,7,18-19H,5-6,8-9H2;1H
InChIKeyHDHAMDXHXVNFAB-UHFFFAOYSA-N
MW412.82 g/mol
LogP1.79
Rot. Bonds5

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride (PubChem CID 154895687) has the molecular formula C14H16ClF3N4O3S and a molecular weight of 412.82 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
PubChem CID154895687
Molecular FormulaC14H16ClF3N4O3S
Molecular Weight412.82 g/mol
Exact Mass412.06
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCc1cc2n(n1)CCNC2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O3S.ClH/c15-14(16,17)24-12-1-3-13(4-2-12)25(22,23)19-8-10-7-11-9-18-5-6-21(11)20-10;/h1-4,7,18-19H,5-6,8-9H2;1H
InChIKeyHDHAMDXHXVNFAB-UHFFFAOYSA-N
XLogP1.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.82
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride (CID 154895687) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCc1cc2n(n1)CCNC2)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is HDHAMDXHXVNFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S.ClH/c15-14(16,17)24-12-1-3-13(4-2-12)25(22,23)19-8-10-7-11-9-18-5-6-21(11)20-10;/h1-4,7,18-19H,5-6,8-9H2;1H.
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 412.82 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 154895687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).